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Sample records for electron doped manganite

  1. Epitaxial stabilization of ultra thin films of electron doped manganites

    Energy Technology Data Exchange (ETDEWEB)

    Middey, S., E-mail: smiddey@uark.edu; Kareev, M.; Meyers, D.; Liu, X.; Cao, Y.; Tripathi, S.; Chakhalian, J. [Department of Physics, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Yazici, D.; Maple, M. B. [Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States); Ryan, P. J.; Freeland, J. W. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2014-05-19

    Ultra-thin films of the electron doped manganite La{sub 0.8}Ce{sub 0.2}MnO{sub 3} were grown in a layer-by-layer growth mode on SrTiO{sub 3} (001) substrates by pulsed laser interval deposition. High structural quality and surface morphology were confirmed by a combination of synchrotron based x-ray diffraction and atomic force microscopy. Resonant X-ray absorption spectroscopy measurements confirm the presence of Ce{sup 4+} and Mn{sup 2+} ions. In addition, the electron doping signature was corroborated by Hall effect measurements. All grown films show a ferromagnetic ground state as revealed by both dc magnetization and x-ray magnetic circular dichroism measurements and remain insulating contrary to earlier reports of a metal-insulator transition. Our results hint at the possibility of electron-hole asymmetry in the colossal magnetoresistive manganite phase diagram akin to the high-T{sub c} cuprates.

  2. Delocalized and localized states of eg electrons in half-doped manganites.

    Science.gov (United States)

    Winkler, E L; Tovar, M; Causa, M T

    2013-07-24

    We have studied the magnetic behaviour of half-doped manganite Y0.5Ca0.5MnO3 in an extended range of temperatures by means of magnetic susceptibility, χ(T), and electron spin resonance (ESR) experiments. At high temperature the system crystallizes in an orthorhombic structure. The resistivity value, ρ ≃ 0.05 Ω cm at 500 K, indicates a metallic behaviour, while the Curie-Weiss dependence of χ(T) and the thermal evolution of the ESR parameters are very well described by a model that considers a system conformed by localized Mn(4+) cores, [Formula: see text], and itinerant, eg, electrons. The strong coupling between t2g and eg electrons results in an enhanced Curie constant and an FM Curie-Weiss temperature that overcomes the AFM interactions between the [Formula: see text] cores. A transition to a more distorted phase is observed at T ≈ 500 K and signatures of localization of the eg electrons appear in the χ(T) behaviour below 300 K. A new Curie-Weiss regime is observed, where the Curie-constant value is consistent with dimer formation. Based on mean-field calculations, the dimer formation is predicted as a function of the interaction strength between the t2g and eg electrons.

  3. Microscopic modelling of doped manganites

    International Nuclear Information System (INIS)

    Weisse, Alexander; Fehske, Holger

    2004-01-01

    Colossal magneto-resistance manganites are characterized by a complex interplay of charge, spin, orbital and lattice degrees of freedom. Formulating microscopic models for these compounds aims at meeting two conflicting objectives: sufficient simplification without excessive restrictions on the phase space. We give a detailed introduction to the electronic structure of manganites and derive a microscopic model for their low-energy physics. Focusing on short-range electron-lattice and spin-orbital correlations we supplement the modelling with numerical simulations

  4. Electron magnetic resonance study of monovalent Na doping in Pr0.6Sr0.4−xNaxMnO3 manganites

    International Nuclear Information System (INIS)

    Thaljaoui, Rachid; Boujelben, Wahiba; Pękała, Marek; Szydłowska, Jadwiga; Cheikhrouhou, Abdelwaheb

    2012-01-01

    Highlights: ► New monovalent doped manganites Pr 0.6 Sr 0.4−x Na x MnO 3 (x = 0, 0.05). ► Comparison of electron magnetic resonance spectra in ferro- and paramagnetic phases. ► Double exchange interactions weakened by Na doping as indicated by activation energy. ► Magnetic susceptibility derived from resonance intensity obeys Curie–Weiss law. - Abstract: Effect of monovalent Na doping on the magnetic properties is studied in Pr 0.6 Sr 0.4−x Na x MnO 3 system (x = 0, 0.05) using X-band electron magnetic resonance and magnetization measurements. Temperature variation of magnetic resonance spectra of doped and undoped manganites is analyzed for paramagnetic and ferromagnetic states and compared to similar systems. In paramagnetic phase the magnetic susceptibility proportional to resonance signal intensity is found to obey the Curie–Weiss law. The effective magnetic moment becomes smaller in doped manganite. The paramagnetic Curie temperature derived from signal intensity equals to 312 and 306 K for the undoped and doped manganites, respectively, and is close to values obtained from magnetization variation in paramagnetic phase. The activation energy determined using the adiabatic small polaron hopping model is higher for the undoped than the doped manganite, which proves that the Na doping slightly reduces the Mn 3+ /Mn 4+ double exchange interactions.

  5. Tunable two-phase coexistence in half-doped manganites

    Indian Academy of Sciences (India)

    Our recent work on half-doped manganites builds on those ideas to explain our data showing continuously tunable phase coexistence of FM and AFM states. Macroscopic hysteresis across transitions is often used to assert their first-order nature, and this has also been done in the case of half-doped manganites [6]. Kuwa-.

  6. Electronically soft phases in manganites.

    Science.gov (United States)

    Milward, G C; Calderón, M J; Littlewood, P B

    2005-02-10

    The phenomenon of colossal magnetoresistance in manganites is generally agreed to be a result of competition between crystal phases with different electronic, magnetic and structural order; a competition which can be strong enough to cause phase separation between metallic ferromagnetic and insulating charge-modulated states. Nevertheless, closer inspection of phase diagrams in many manganites reveals complex phases where the two order parameters of magnetism and charge modulation unexpectedly coexist. Here we show that such experiments can be naturally explained within a phenomenological Ginzburg-Landau theory. In contrast to models where phase separation originates from disorder or as a strain-induced kinetic phenomenon, we argue that magnetic and charge modulation coexist in new thermodynamic phases. This leads to a rich diagram of equilibrium phases, qualitatively similar to those seen experimentally. The success of this model argues for a fundamental reinterpretation of the nature of charge modulation in these materials, from a localized to a more extended 'charge-density wave' picture. The same symmetry considerations that favour textured coexistence of charge and magnetic order may apply to many electronic systems with competing phases. The resulting 'electronically soft' phases of matter with incommensurate, inhomogeneous and mixed order may be general phenomena in correlated systems.

  7. Synthesis of calcium doped lanthanum manganite by mechanosynthesis

    International Nuclear Information System (INIS)

    Bolarin, A.M.; Sanchez, F.; Palomares, S.; Aguilar, J.A.; Torres-Villasenor, G.

    2007-01-01

    Lanthanum manganite doped with calcium, Ca 1/3 La 2/3 MnO 3-δ , was prepared by a high-energy ball milling. The precursors used were Mn 2 O 3 , La 2 O 3 and CaO, mixed in the stoichiometric ratio to obtain this manganite. The mechano-chemical process was performed at room temperature in a SPEX 8000D mixer/mill, using hardened steel balls and stainless steel vials, in air atmosphere. X-ray diffraction was used to elucidate the phase transformation as a function of the milling time. The Rietveld refinement was used in order to characterize structurally the manganites. The morphology and particle size of powder compound obtained were characterized by scanning electron microscope. The particle size of this powder material was measured with zeta size analyzer, and selected area electron diffraction (SAED) from TEM was used to elucidate the crystalline structure of this powder compound. The results showed that it is possible to obtain calcium doped lanthanum manganite by mechano-synthesis, using a weight ratio of ball to powder of 12:1, after 3 h of milling. The evolution of the phase transformation during the milling time is reported. Increases in milling time produce exponential decrease in the particle size, up to 680 nm after 1 h of milling. After the milling process it is obtained a powder compound with an orthorhombic structure (S.G. Pbnm). A prolonged milling time (>9 h) produce an important reduction in the particle size but this is accompanied with a high iron contamination caused by metallic residues originated from vial and balls and also, after 9 h of milling time, it was found an important distortion in orthorhombic structure, obtaining two types of parameters

  8. Magnetic, electrical transport and electron spin resonance studies of Fe-doped manganite LaMn0.7Fe0.3O3+δ

    International Nuclear Information System (INIS)

    Liu, X.J.; Li, Z.Q.; Yu, A.; Liu, M.L.; Li, W.R.; Li, B.L.; Wu, P.; Bai, H.L.; Jiang, E.Y.

    2007-01-01

    We have investigated the magnetic, electrical transport and electron spin resonance (ESR) properties of polycrystalline Fe-doped manganite LaMn 0.7 Fe 0.3 O 3+ δ prepared by sol-gel method. A typical cluster-glass feature is presented by DC magnetization and AC susceptibility measurements and a sharp but shallow memory effect was observed. Symmetrical Lorentzian lines of the Mn/Fe spectra were detected above 120 K, where the sample is a paramagnetic (PM) insulator. When the temperature decreases from 120 K, magnetic clusters contributed from ferromagnetic (FM) interaction between Mn 3+ and Mn 3+ /Fe 3+ ions develop and coexist with PM phase. At lower temperature, these FM clusters compete with antiferromagnetic (AFM) ones between Fe 3+ ions, which are associated with a distinct field-cooled (FC) effect in characteristic of cluster-glass state

  9. Electrical behaviour of strontium-doped lanthanum manganite interfaces

    DEFF Research Database (Denmark)

    Koch, Søren; Hendriksen, P.V.; Jacobsen, Torben

    2005-01-01

    The contact resistance of strontium-doped lanthanum manganite (LSM) contact pairs is investigated by polarisation analysis at different temperatures and atmospheres. The ceramic contacts have a high contact resistance, and strongly nonlinear current–voltage behaviour is observed at low temperatur....... The nonlinear behaviour is ascribed to the presence of energy barriers at the contact interface. Generally, point contacts showed a more linear behaviour than plane contact interfaces....

  10. Temperature dependence of non-Debye disorder in doped manganites

    International Nuclear Information System (INIS)

    Meneghini, C.; Cimino, R.; Pascarelli, S.; Mobilio, S.; Raghu, C.; Sarma, D.D.

    1997-01-01

    Ca-doped manganite La 1-x Ca x MnO 3 samples with x=0.2 and 0.4 were investigated by extended x-ray absorption fine structure (EXAFS) as a function of temperature and preparation method. The samples exhibit characteristic resistivity change across the metal-insulator (MI) transition temperature whose shape and position depend on Ca-doping concentration and sample thermal treatment. EXAFS results evidenced an increase of nonthermal disorder at the MI transition temperature which is significantly correlated with the resistivity behavior. copyright 1997 The American Physical Society

  11. Manganites in Perovskite Superlattices: Structural and Electronic Properties

    KAUST Repository

    Jiwuer, Jilili

    2016-01-01

    Perovskite manganites are widely investigated compounds due to the discovery of the colossal magnetoresistance effect in 1994. They have a broad range of structural, electronic, magnetic properties and potential device applications in sensors

  12. Physical and chemical properties of calcium doped neodymium manganite

    International Nuclear Information System (INIS)

    Tikhonova, L.A.; Zhuk, P.P.; Tonoyan, A.A.; Vecher, A.A.

    1991-01-01

    Physical and chemical properties of calcium doped neodymium manganite were investigated. It was shown that structure of perovskite with O'-orthorhombic distortion was characteristic for solid solutions of Nd 1-x Ca x MnO 3 (x=0-0.5). Maximum of conductivity for samples with x=0.2 was determined. Inversion of conductivity from p- (x=0) to n-type (x=0.5) was observed in increase of concentration of calcium doped addition. Values of thermal expansion coefficient of studied solid solutions of Nd 1-x Ca x MnO 3 didn't depend on concentration of doped addition within the range 700 to 1200 K and were (9.9-11.3)·10 -6 K -1

  13. Magnetocaloric effect in potassium doped lanthanum manganite perovskites prepared by a pyrophoric method

    Science.gov (United States)

    Das, Soma; Dey, T. K.

    2006-08-01

    The magnetocaloric effect (MCE) in fine grained perovskite manganites of the type La1-xKxMnO3 (0value of 3.00 J kg-1 K-1 at 310 K amongst the compounds investigated. Moreover, the maximum magnetic entropy change exhibits a linear dependence with applied magnetic field. The estimated adiabatic temperature change at TC and at 1 T field also increases with K doping, being a maximum of 2.1 K for the La0.85K0.15MnO3 compound. The relative cooling power (RCP) of La1-xKxMnO3 compounds is estimated to be about one-third of that of the prototype magnetic refrigerant material (pure Gd). However, La1-xKxMnO3 compounds possess an MCE around room temperature, which is comparable to that of Gd. Further, tailoring of their TC, higher chemical stability, lower eddy current heating and lower cost of synthesis are some of the attractive features of K doped lanthanum manganites that are advantageous for a magnetic refrigerant. The temperature dependence of the magnetic entropy change (ΔSM) measured under various magnetic fields is explained fairly well using the Landau theory of phase transitions. Contributions of magnetoelastic and electron interaction are found to have a strong influence in the magnetocaloric effect of manganites.

  14. Manganites in Perovskite Superlattices: Structural and Electronic Properties

    KAUST Repository

    Jilili, Jiwuer

    2016-07-13

    Perovskite oxides have the general chemical formula ABO3, where A is a rare-earth or alkali-metal cation and B is a transition metal cation. Perovskite oxides can be formed with a variety of constituent elements and exhibit a wide range of properties ranging from insulators, metals to even superconductors. With the development of growth and characterization techniques, more information on their physical and chemical properties has been revealed, which diversified their technological applications. Perovskite manganites are widely investigated compounds due to the discovery of the colossal magnetoresistance effect in 1994. They have a broad range of structural, electronic, magnetic properties and potential device applications in sensors and spintronics. There is not only the technological importance but also the need to understand the fundamental mechanisms of the unusual magnetic and transport properties that drive enormous attention. Manganites combined with other perovskite oxides are gaining interest due to novel properties especially at the interface, such as interfacial ferromagnetism, exchange bias, interfacial conductivity. Doped manganites exhibit diverse electrical properties as compared to the parent compounds. For instance, hole doped La0.7Sr0.3MnO3 is a ferromagnetic metal, whereas LaMnO3 is an antiferromagnetic insulator. Since manganites are strongly correlated systems, heterojunctions composed of manganites and other perovskite oxides are sunject to complex coupling of the spin, orbit, charge, and lattice degrees of freedom and exhibit unique electronic, magnetic, and transport properties. Electronic reconstructions, O defects, doping, intersite disorder, magnetic proximity, magnetic exchange, and polar catastrophe are some effects to explain these interfacial phenomena. In our work we use first-principles calculations to study the structural, electronic, and magnetic properties of manganite based superlattices. Firstly, we investigate the electronic

  15. Investigation of doping and particle size effect on structural, magnetic and magnetoresistance properties of manganites

    Directory of Open Access Journals (Sweden)

    M. Hakimi

    2008-06-01

    Full Text Available  In this paper after introduction of manganites, we have studied the effect of particle size and doping on structural, magnetic and magnetoresistance of LSMO manganite samples. The magnetoresistance measurements show that, by decreasing the particle size LFMR increases. Also the results show that the LFMR increases at low doping levels and decreases at high doping levels. The spin dependent tunneling and scattering at the grain boundaries is the origin of increasing the LFMR at low doping levels. Also the substitution of impurity ions at Mn sites and subsequently weaking of double exchange is responsible for decreasing of LFMR at high doping level.

  16. Strained superlattices and magnetic tunnel junctions based on doped manganites

    International Nuclear Information System (INIS)

    Yafeng Lu

    2001-01-01

    In the first part of this work the effect of biaxial strain on the structure and transport properties of doped manganites has been studied to explore the relevance of Jahn-Teller electron-lattice interaction for the CMR phenomenon in these materials. A series of high quality, coherently strained La 2/3 (Ca or Ba) 1/3 MnO 3 /SrTiO 3 superlattices with different modulation periods have been fabricated on (001) SrTiO 3 and NdGaO 3 substrates by laser molecular beam epitaxy. A detailed structural characterization was performed by high-angle X-ray diffraction (HAXRD) and low-angle X-ray reflectivity (LAXRR). The fabricated superlattices are very flat, show excellent structural coherence and very small mosaic spread (0.2 ∝0.03 ). The in-plane coherency strain could be varied by changing the thickness ratio of the constituent layers allowing for a systematic variation of the resulting lattice distortion of La 2/3 (Ca or Ba) 1/3 MnO 3 . By the in-plane coherency strain the out-of-plane lattice constant could be continuously adjusted by varying the relative thickness of the SrTiO 3 and La 2/3 (Ca or Ba) 1/3 MnO 3 layers: the c-axis lattice constant of La 2/3 Ba 1/3 MnO 3 was found to vary from 3.910 A to 3.975 A due to a compressive in-plane strain, whereas the c-axis constant of La 2/3 Ca 1/3 MnO 3 was found to change from 3.87 A to 3.79A due to tensile in-plane strain. The strain results in a biaxial distortion ε bi of La 2/3 (Ca or Ba) 1/3 MnO 3 that strongly affects the electrical transport properties and the magnetoresistance. Our measurements show that there is a clear correlation between ε bi and the temperature T p corresponding to the maximum in the resistivity versus temperature curves as well as the measured magnetoresistance in the two systems. In the second part of this work we have investigated the spin-dependent tunneling in trilayer structures of La 2/3 Ba 1/3 MnO 3 /SrTiO 3 /La 2/3 Ba 1/3 MnO 3 . (orig.)

  17. Sintering and electrical properties of strontium-doped lanthanum manganite

    Energy Technology Data Exchange (ETDEWEB)

    Tarrago, Diego Pereira; Sousa, Vania Caldas de [Universidade Federal do Rio Grande do Sul (LABIOMAT/PPGEM/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia de Minas, Metalurgica e de Materiais. Lab. de Biomateriais], Email: dptarrago@gmail.com; Moreno Buriel, Berta; Chinarro Martini, Eva; Jurado Egea, Jose Ramon [Consejo Superior de Investigaciones Cientificas (ICV/CSIC), Madrid (Spain). Inst. de Ceramica y Vidrio; Malfatti, Celia de Fraga [Universidade Federal do Rio Grande do Sul (LAPEC/PPGEM/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia de Minas, Metalurgica e de Materiais. Lab. de Pesquisa em Corrosao

    2010-07-01

    Lanthanum strontium manganites (LSM) are potential materials for cathode applications in solid oxide fuel cells (SOFC) due to their good catalytic activity, chemical stability and compatibility with electrolyte materials in high temperatures. The sinterability of single phase La{sub 1-x}Sr{sub x}Mn{sub O3} (x=0.18) perovskite powders and the electrical properties of the resulting samples are analyzed in this study. Using a heating microscope, the powders were pressed and sintered at different pressures and temperatures, resulting in an open porosity of 33.36% when compacted at 125 MPa and sintered at 1200 degree C. Top and cross-section s canning electron microscopy (SEM) micrographs revealed interconnected pores in the sintered body and, hence, a suitable microstructure for the application. The activation energy for conductance was 0.04 eV and the tested LSM bulk started to exhibit adequate electrical properties at about 500 degree C. (author)

  18. Monte Carlo simulations of magnetic order in Fe-doped manganites

    International Nuclear Information System (INIS)

    Alonso, J.; Gutierrez, J.; Barandiaran, J.M.; Bermejo, F.J.; Brey, L.

    2008-01-01

    The effect of Fe doping on the magnetic properties of La 0.7 Pb 0.3 Mn 1-x Fe x O 3 (x=0, 0.05, 0.1, 0.15 and 0.2) manganites is studied by the Monte Carlo simulation technique. As a first approximation, by means of a simple Heisenberg Hamiltonian, experimental normalized magnetizations at low temperatures have been reproduced for concentrations of Fe (x<0.2), but the calculated order temperatures show a large deviation from the measured ones. This shortcoming can be corrected by using a one electron effective hopping semi-classical Hamiltonian, with a simplified expression for the kinetic energy of the free electrons, which also avoids time-consuming diagonalizations

  19. Non-conventional ordering studied by magnetic resonance in Fe-doped manganites

    International Nuclear Information System (INIS)

    Gutierrez, J.; Siruguri, V.; Barandiaran, J.M.; Pena, A.; Lezama, L.; Rojo, T.

    2006-01-01

    Coexistence of ferromagnetic (FM) and paramagnetic (PM) phases in La 0.7 Pb 0.3 (Mn 1-x Fe x )O 3 (0.1=< x=<0.3) manganites is studied by the electron spin resonance (ESR) technique. Doping with Fe gives rise to a progressive decrease both in the low-temperature magnetic moment and magnetic order temperature values. Obtained spectra show narrow resonance signals above Curie temperature that transform to asymmetric Dyson-like signals as temperature decreases. The evolution of line width with temperature shows minima that correlate directly with the obtained paramagnetic Curie temperatures. Analysis of spectra above and below magnetic order temperatures reveals features of complex PM to FM transitions and coexistence of both type of phases in a wide range of temperatures

  20. Thermoelectric power and electrical conductivity of strontium-doped lanthanum manganite

    DEFF Research Database (Denmark)

    Ahlgren, E.O.; Poulsen, F.W.

    1996-01-01

    Thermoelectric power and electrical conductivity of pure and 5, 10 and 20% strontium-doped lanthanum manganite are determined as function of temperature in air and of P-O2 at 1000 degrees C. At high temperatures the thermoelectric power is negative. Both thermoelectric power and conductivity...

  1. Tuning the competition between ferromagnetism and antiferromagnetism in a half-doped manganite through magnetoelectric coupling

    Energy Technology Data Exchange (ETDEWEB)

    Yi, Di [University of California; Liu, Jian [University of California, Berkeley & LBNL; Okamoto, Satoshi [ORNL; Jagannatha, Suresha [Lawrence Berkeley National Laboratory (LBNL); Chen, Yi-Chun [National Cheng Kung University, Tainan, Taiwan; Yu, Pu [Tsinghua University; Chu, Ying-Hao [National Chiao Tung University, Hsinchu, Taiwan; Arenholz, Elke [Lawrence Berkeley National Laboratory (LBNL); Ramesh, Ramamoorthy [University of California, Berkeley

    2013-01-01

    We investigate the possibility of controlling the magnetic phase transition of the heterointerface between a half-doped manganite La0:5Ca0:5MnO3 and a multiferroic BiFeO3 (BFO) through magnetoelectric coupling. Using macroscopic magnetometry and element-selective x-ray magnetic circular dichroism at the Mn and Fe L edges, we discover that the ferroelectric polarization of BFO controls simultaneously the magnetization of BFO and La0.5Ca0.5MnO3 (LCMO). X-ray absorption spectra at the oxygen K edge and linear dichroism at the Mn L edge suggest that the interfacial coupling is mainly derived from the superexchange between Mn and Fe t2g spins. The combination of x-ray absorption spectroscopy and mean-field theory calculations reveals that the d-electron modulation of Mn cations changes the magnetic coupling in LCMO, which controls the enhanced canted moments of interfacial BFO via the interfacial coupling. Our results demonstrate that the competition between ferromagnetic and antiferromagnetic instability can be modulated by an electric field at the heterointerface, providing another pathway for the electrical field control of magnetism.

  2. Effect of high pressure on the ground state of low doped manganite: a neutron diffraction and transport property study

    International Nuclear Information System (INIS)

    Ghosh, Barnali; Raychaudhuri, A.K.; Siruguri, V.; Chatterji, Tapan; Thomas, Hansen; Mukovskii, Ya.M.

    2013-01-01

    Depending on the doping level x the hole-doped perovskite manganites, like La 1-x Ca x MnO 3 exhibit a wide variety of physical properties. These compounds lead their high sensitivity to thermodynamic variables like temperature, magnetic field and pressure. The structure can be modified by application of high pressure and it can be quantitative that changes the Mn-O bond length and increases the Mn-O-Mn bond angle. In some cases the pressure can bring about qualitative changes in the structure like change in the lattice structure or its symmetry. These structural factors can contribute to the effective electron transfer integral between Mn ions, which in turn can change the magnetic exchanges like the double-exchange as well as the super exchange. For low hole doping (0.15 ≤ x ≤ 0.2), the low temperature ground state is Ferromagnetic insulator (FMI). The ground state of the low doped manganite La 0.79 Ca 0.21 MnO 3 (LCMO) can be destabilized by external hydrostatic pressure. We have done electrical transport measurement under magnetic field and under high pressure for understanding the nature of the resulting phase(s) that arise from the applied hydrostatic pressure. We find that the metallic phase so created under pressure has no appreciable magnetoresistance (MR). The Neutron powder diffraction measurement done on D20 diffractometer (λ=1.3Å) at ILL, Grenoble, France under high hydrostatic pressure up to 10GPa shows that the pressure leads to a change in the crystal structure from orthorhombic to rhombohedral and leading to a change in magnetic structure also; and most importantly collapse of the magnetic moment to a low value that leads to absence of any MR under pressure induced metallization. (author)

  3. Novel phase transitions in B-site doped manganites

    International Nuclear Information System (INIS)

    Popovic, Z.V.; Cantarero, A.; Thijssen, W.H.A.; Paunovic, N.; Dohcevic-Mitrovic, Z.; Sapina, F.

    2005-01-01

    We have examined the infrared reflectivity and the electrical resistivity of La 1- x [Sr(Ba)] x Mn 1- z [Cu(Zn)] z O 3 samples in ferromagnetic metallic and insulator regime. Several phase transitions are observed, the most obvious being the transition from a ferromagnetic metallic to a ferromagnetic insulator phase that is related to the formation of short-range orbitally ordered domains. The temperature T 1 of the phase transition is dependent on doping concentration and for optimally doped samples (∼32% of Mn 4+ ions) we have found T 1 ∼0.93 T C

  4. Novel phase transitions in B-site doped manganites

    Energy Technology Data Exchange (ETDEWEB)

    Popovic, Z.V. [Institute of Physics, P.O. Box 68, 11080 Belgrade/Zemun (Serbia and Montenegro)]. E-mail: zoran.popovic@phy.bg.ac.yu; Cantarero, A. [Materials Science Institute, University of Valencia, P.O. Box 22085, 46071 Valencia (Spain); Thijssen, W.H.A. [Kamerlingh Onnes Laboratorium, Leiden University, Postbus 9504, 2300 RA Leiden (Netherlands); Paunovic, N. [Institute of Physics, P.O. Box 68, 11080 Belgrade/Zemun (Serbia and Montenegro); Dohcevic-Mitrovic, Z. [Institute of Physics, P.O. Box 68, 11080 Belgrade/Zemun (Serbia and Montenegro); Sapina, F. [Materials Science Institute, University of Valencia, P.O. Box 22085, 46071 Valencia (Spain)

    2005-04-30

    We have examined the infrared reflectivity and the electrical resistivity of La{sub 1-} {sub x} [Sr(Ba)] {sub x} Mn{sub 1-} {sub z} [Cu(Zn)] {sub z} O{sub 3} samples in ferromagnetic metallic and insulator regime. Several phase transitions are observed, the most obvious being the transition from a ferromagnetic metallic to a ferromagnetic insulator phase that is related to the formation of short-range orbitally ordered domains. The temperature T {sub 1} of the phase transition is dependent on doping concentration and for optimally doped samples ({approx}32% of Mn{sup 4+} ions) we have found T {sub 1}{approx}0.93 T {sub C}.

  5. Colossal magnetoresistance manganites

    Indian Academy of Sciences (India)

    Keywords. Manganites; colossal magnetoresistance; strongly correlated electron systems; metal-insulator transitions and other electronic transitions; Jahn-Teller polarons and electron-phonon interaction.

  6. Ferromagnetic domain structures and spin configurations measured in doped manganite

    DEFF Research Database (Denmark)

    He, J.Q.; Volkov, V.V.; Beleggia, Marco

    2010-01-01

    We report on measurements of the spin configuration across ferromagnetic domains in La0.325Pr0.3Ca0.375MnO3 films obtained by means of low-temperature Lorentz electron microscopy with in situ magnetizing capabilities. Due to the particular crystal symmetry of the material, we observe two sets of ...... and the crystal symmetry might affect the magnetoresistivity under an applied magnetic field in a strongly correlated electron system....

  7. Peculiar ferromagnetic insulator state in the low-hole-doped manganites

    International Nuclear Information System (INIS)

    Algarabel, P.A.; Teresa, J.M. de; Blasco, J.; Ibarra, M.R.; Kapusta, Cz.; Sikora, M.; Zajac, D.; Riedi, P.C.; Ritter, C.

    2003-01-01

    In this work we show the very different nature of the ferromagnetic state of the low-hole-doped manganites with respect to other manganites showing colossal magnetoresistance. High-field measurements definitively prove the coexistence of ferromagnetic-metallic and ferromagnetic-insulating regions even when the sample is magnetically saturated, with the ground state being inhomogeneous. We have investigated La 0.9 Ca 0.1 MnO 3 as a prototype compound. A wide characterization by means of magnetic and magnetotransport measurements, neutron diffraction, small-angle neutron scattering, and nuclear magnetic resonance has allowed us to establish that the ground state is based on the existence of disordered nanometric double-exchange metallic clusters that coexist with long-range superexchange-based ferromagnetic insulating regions. Under high magnetic field the system reaches magnetization saturation by aligning the magnetic clusters and the insulating matrix, but even if they grow in size, they do not reach the percolation limit

  8. Gelcasting of strontium doped lanthanum manganite for solid oxide fuel cell applications

    International Nuclear Information System (INIS)

    Abdul Haleem, B.; Bhuvana, R.; Udayakumar, A.

    2009-01-01

    Solid oxide fuel cells (SOFCs) are devices that offer high efficiency power output with negligible emissions. Cathode supported tubular SOFCs consist of porous cathode tubes made up of strontium doped lanthanum manganite, La 1-x Sr x MnO 3 (LSM) that work as functional component as well as structural support for the rest of the cell components. Gelcasting is one of the most suitable methods for the fabrication of porous ceramics. This paper describes the fabrication of porous LSM cathode by gelcasting process. Gelcasting parameters such as monomer concentration, powder volume fraction, pH of the slurry, etc were optimized. Slow drying of green specimens minimized warpage and cracking. Sintered specimens with controlled porosity were obtained by the use of suitable pore-forming agents. The coefficient of thermal expansion (CTE) of sintered specimens was measured, which was found matching with the CTE values of cell components reported in the literature. These results have shown the suitability of the gelcast generated LSM cathodes for SOFC applications. (author)

  9. Local probe studies on lattice distortions and electronic correlations in manganites

    CERN Document Server

    lopes, Armandina; Correia, João Guilherme

    This thesis presents an experimental study on lattice distortions and electronic correlations in colossal magnetoresistive magnetic oxides. The Perturbed Angular Correlation local probe technique is used to study selected manganite systems in order to obtain relevant insight into microscopic phenomena responsible for their macroscopic pr operties. Complementary structural, magnetic and electric characterization was performed. The work is focused on the following aspects: \\\\Lattice distortions and polaron clusters in LaMnO$_{3+ \\Delta}$ system. A study of the electric field gradi ent and magnetic hyperfine field was performed in representative samples of the LaMnO$_{3+ \\Delta}$ system, and correlated with macroscopic information obtained in the same samples. Particular attention was given to the LaMnO$_{3.12}$ sample since this compound is a prototype of a ferromagnetic-insulat or manganite, presenting a rhombohedric- orthorhombic structural phase transition near room temperature. We found that random distribu...

  10. Two-phase behavior in strained thin films of hole-doped manganites

    OpenAIRE

    Biswas, Amlan; Rajeswari, M.; Srivastava, R. C.; Li, Y. H.; Venkatesan, T.; Greene, R. L.; Millis, A. J.

    1999-01-01

    We present a study of the effect of biaxial strain on the electrical and magnetic properties of thin films of manganites. We observe that manganite films grown under biaxial compressive strain exhibit island growth morphology which leads to a non-uniform distribution of the strain. Transport and magnetic properties of these films suggest the coexistence of two different phases, a metallic ferromagnet and an insulating antiferromagnet. We suggest that the high strain regions are insulating whi...

  11. Effect of CDW and magnetic interactions on the eg electrons of the manganite systems

    International Nuclear Information System (INIS)

    Rout, G.C.; Panda, S.; Behera, S.N.

    2009-01-01

    We address a model study which includes the co-existence of the charge density wave (CDW) and ferromagnetic interactions in order to explain the colossal magnetoresistance (CMR) in manganites. The Hamiltonian consists of the ferromagnetic Hund's rule exchange interaction between e g and t 2g spins, Heisenberg core spin interactions and the CDW interaction present in the e g band electrons. The core electron magnetization, induced e g electron magnetization and the CDW gap are calculated using Zubarev's Green's function technique and determined self-consistently. The effect of core electron magnetization and the CDW interaction on the induced magnetization as well as on the occupation number in the different spin states of the e g band electrons are investigated by varying the model parameters of the system like the CDW coupling, the exchange coupling, the Heisenberg coupling and the external field. It is observed that the induced magnetization exhibits re-entrant behaviour and exists within a narrow temperature range just below the Curie temperature. This unusual behaviour of the e g band electrons will throw some new insights on the physical properties of the manganite systems.

  12. Magnonic Crystal Theory of the Spin-Wave Frequency Gap in Low-Doped $La_{1-x}Ca_{x}MnO_{3}$ Manganites

    OpenAIRE

    Krawczyk, M.; Puszkarski, H.

    2005-01-01

    A theory of three-dimensional (3D) hypothetical magnonic crystal (conceived as the magnetic counterpart of the well-known photonic crystal) is developed and applied to explain the existence of a spin-wave frequency gap recently revealed in low-doped manganites $La_{1-x}Ca_{x}MnO_{3}$ by neutron scattering. A successful confrontation with the experimental results allows us to formulate a working hypothesis that certain manganites could be regarded as 3D magnonic crystals existing in nature.

  13. On magnetic ordering in heavily sodium substituted hole doped lanthanum manganites

    Energy Technology Data Exchange (ETDEWEB)

    Sethulakshmi, N. [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India); Unnimaya, A.N. [Centre for Materials for Electronic Technology (CMET), Thrissur 680581, Kerala (India); Al-Omari, I.A.; Al-Harthi, Salim [Department of Physics, Sultan Qaboos University, PC 123 Muscat (Oman); Sagar, S. [Government College for Women, Thiruvananthapuram 695014, Kerala (India); Thomas, Senoy [Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, Thiruvananthapuram 695019, Kerala (India); Srinivasan, G. [Department of Physics, Oakland University, Rochester (United States); Anantharaman, M.R., E-mail: mraiyer@yahoo.com [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India)

    2015-10-01

    Mixed valence manganite system with monovalent sodium substituted lanthanum manganites form the basis of the present work. Lanthanum manganites belonging to the series La{sub 1−x}Na{sub x}MnO{sub 3} with x=0.5–0.9 were synthesized using modified citrate gel method. Variation of lattice parameters and unit cell volume with Na concentration were analyzed and the magnetization measurements indicated ferromagnetic ordering in all samples at room temperature. Low temperature magnetization behavior indicated that all samples exhibit antiferromagnetism along with ferromagnetism and it has also been observed that antiferromagnetic ordering dominates ferromagnetic ordering as concentration is increased. Evidence for such a magnetic inhomogeneity in these samples has been confirmed from the variation in Mn{sup 3+}/Mn{sup 4+} ion ratio from X-ray Photoelectron Spectroscopy and from the absorption peak studies using Ferromagnetic Resonance Spectroscopy. - Highlights: • Higher substitution of more than 50 percent of monovalent ion, sodium for La sites in lanthanum manganites scarce in literature. • Structural studies using XRD and further structure refinement by Rietveld refinement confirmed orthorhombic pbnm spacegroup. • Ferromagnetic behavior at room temperature with saturation magnetization decreasing with increase in sodium concentration. • M vs T measurements using FC ZFC proved coexisting FM/AFM behavior arising from exchange interactions between different valence states of Mn ions. • Disparity in ratio of Mn valence ions indicated presence of vacancies providing the role of vacancies and oxygen stoichiometry in deciding magnetic inhomogeneity.

  14. Electron localization, polarons and clustered states in manganites

    International Nuclear Information System (INIS)

    Mannella, N.

    2004-01-01

    Full text: A recent multi-spectroscopic study of prototypical colossal magnetoresistance (CMR) compounds La 1-x Sr x MnO 3 (LSMO, x = 0.3, 0.4) using photoemission (PE), x-ray absorption (XAS), x-ray emission (XES) and extended x-ray absorption e structure (EXAFS) has exposed a dramatic change in the electronic structure on crossing the ferromagnetic-to-paramagnetic transition temperature (T C ). In particular, this investigation revealed an increase of the Mn magnetic moment by ca. 1 Bohr magneton and charge transfer to the Mn atom on crossing T C concomitant with the presence of Jahn-Teller distortions, thus providing direct evidence of lattice polaron formation. These results thus challenge the belief of some authors that the LSMO compounds are canonical double-exchange (DE) systems in which polaron formation is unimportant, and thus help to unify the theoretical description of the CMR oxides. The relationship of these data to other recent work suggesting electron localization, polarons and phase separation, along with additional measurements of magnetic susceptibility indicating the formation of ferromagnetic clusters in the metallic paramagnetic state above T C will be discussed

  15. Application of the Rietveld method in powders of strontium-doped lanthanum manganite calcined in different temperatures

    International Nuclear Information System (INIS)

    Chiba, R.; Vargas, R.A.; Martinez, L.G.; Andreoli, M.; Seo, E.S.M.

    2010-01-01

    The strontium-doped lanthanum manganite (LSM) is a ceramic material used as cathode in device called High Temperature Solid Oxide Fuel Cell. In this work, the LSM was synthesized by the citrate technique with the objective to get powders without the formation of secondary phases, such as lanthanum oxide and the lanthanum hydroxide, harmful for the functional performance of the device. The definitive calcination temperatures had been 700, 900 and 1100 deg C, due the decomposition of the polymeric precursors to present stabilization from 480 deg C. The analysis by X-ray diffraction of the calcined powders in different temperatures shows the formation only of phase LSM of hexagonal crystalline structure, type pseudo-perovskite. Using the refinement of Rietveld was determined the parameters and volumes of unity cells, atomic positions and occupations. These results confirm that the chemical compositions obtained are similar to the nominal. (author)

  16. Structural, electrical and magnetic properties of Sb-doped Pr2/3Ba1/3MnO3 perovskite manganites

    International Nuclear Information System (INIS)

    Sen, Vikram; Panwar, Neeraj; Bhalla, G.L.; Agarwal, S.K.

    2007-01-01

    We report here the electrical, magnetic and micro-structural features of the Sb-doped (nominally at Mn-sites) Pr 2/3 Ba 1/3 MnO 3 perovskite manganites. Pristine material shows two insulator-metal (I-M) like transitions in the resistivity-temperature (ρ-T) behaviour. While the higher temperature transition (T P1 ) at ∼195 K is reminiscent of the usual metal-insulator transition, the lower temperature transition (T P2 ) at ∼160 K has been ascribed to the grain boundary (GB) effects arising out of the ionic size mismatch between the ions present at the rare-earth site (Pr and Ba). With Sb doping at the Mn-site, both the resistivity peaks are seen to shift to lower temperatures. Room temperature resistivity and the peak values are also successively increasing with Sb doping. Scanning electron micrographs of the samples indicate a gradual increase in their grain sizes with Sb which indicates a gradual decrease in the GB density. The higher temperature insulator-metal transition (T P1 ) shift is explained on the basis of a competition between double-exchange and super-exchange mechanisms. The observed overall resistivity increase and the shift in the resistivity hump (T P2 ) with Sb are found related to the gradually decreasing GB density and the ensuing lattice strain increase at the grain boundaries. The intrinsic MR gets suppressed and the extrinsic MR gets enhanced with Sb doping. The observed low temperature resistivity upturn related to the localization of carriers, is also seen to increase with Sb

  17. Effects of site substitution and metal ion addition on doped manganites

    CERN Document Server

    Pradhan, A K; Roul, B K; Sahu, D R; Muralidhar, M

    2002-01-01

    We report transport, magnetization and transmission electron microscopy studies of the effects of A-and B-site substitution, and the addition of metal ions such as Pt, Ag and Sr, on doped ABO sub 3 perovskites, where A = La, Pr etc and B = Mn. Disorder induced by such substitution changes the behaviour of the charge-ordered (CO) state significantly. A-and B-site substitution suppresses the CO phase due to size mismatch and disorder produced by inhomogeneity. On the other hand, addition of metal ions such as Pt and Ag improves several colossal-magnetoresistance properties significantly due to microstructural effects and enhanced current percolation through grain boundaries.

  18. Selective substitution in orbital domains of a low doped manganite: an investigation from Griffiths phenomenon and modification of glassy features

    International Nuclear Information System (INIS)

    Mukherjee, K; Banerjee, A

    2009-01-01

    An effort is made to study the contrast in magnetic behavior resulting from minimal disorder introduced by substitution of 2.5% Ga or Al in Mn site of La 0.9 Sr 0.1 MnO 3 . It is considered that Ga or Al selectively create disorder within the orbital domains or on its walls, causing enhancement of Griffiths phase (GP) singularity for the former and disappearance of it in the latter case. It is shown that Ga replaces Mn 3+ , which is considered to be concentrated within the domains, whereas Al replaces Mn 4+ , which is segregated on the hole-rich walls, without causing any significant effect on structure or ferromagnetic transition temperatures. Thus, it is presumed that the effect of disorder created by Ga extends across the bulk of the domain having correlation over a similar length scale, resulting in enhancement of the GP phenomenon. In contrast, the effect of disorder created by Al remains restricted to the walls, resulting in the modification of the dynamics arising from the domain walls and suppresses the GP. Moreover, contrasting features are observed in the low temperature region of the compounds; a re-entrant spin-glass-like behavior is observed in the Ga-doped sample, while the observed characteristics for the Al-doped sample are ascribed only to modified domain wall dynamics with the absence of any glassy phase. Distinctive features in third-order susceptibility measurements reveal that the magnetic ground state of the entire series comprises of orbital domain states. These observations bring out the role of the nature of disorder on the GP phenomenon and also reconfirms the character of self-organization in low doped manganites.

  19. Facile synthesis of Ca-doped manganite nanoparticles by a nonaqueous sol-gel method and their magnetic properties

    International Nuclear Information System (INIS)

    Zhou, S.M.; Zhao, S.Y.; He, L.F.; Guo, Y.Q.; Shi, L.

    2010-01-01

    Perovskite manganite La 1-x Ca x MnO 3 (x=1/3, 1/2 and 2/3) nanoparticles with the average particle size of about 20 nm have been synthesized by a facile nonaqueous sol-gel method using methanol as a solvent and characterized by X-ray diffraction, transmission electron microscopy and superconducting quantum interference device magnetometer. Magnetic measurements reveal that although their bulk counterparts have quite different magnetic ground states, the three-nanosized samples exhibit similar ferromagnetic behaviors below about 270 K. This result implies that with the particle size reduced to nanoscale, the ferromagnetism for x=1/3 is weaken, while it is enhanced, accompanied by the suppression of the charge ordering, for x=1/2 and 2/3. Moreover, the exchange bias phenomena are observed in the two latter nanoparticles, which is of special interest for potential applications.

  20. Tuning the magnetocaloric properties of La0.7Ca0.3MnO3 manganites through Ni-doping

    Science.gov (United States)

    Gómez, A.; Chavarriaga, E.; Supelano, I.; Parra, C. A.; Morán, O.

    2018-04-01

    The effect of Ni2+ doping on the magnetic and magnetocaloric properties of La0.7Ca0.3MnO3 manganites synthesized via the auto-combustion method is reported. The aim of studying Ni2+-substituted La0.7Ca0.3Mn1 - xNixO3 (x = 0 , 0.02 , 0.07, and 0.1) manganites was to explore the possibility of increasing the operating temperature range for the magnetocaloric effect through tuning of the magnetic transition temperature. X-ray diffraction analysis confirmed the phase purity of the synthesized samples. The substitution of Mn3+ ions by Ni2+ ions in the La0.7Ca0.3MnO3 lattice was also corroborated through this technique. The dependence of the magnetization on the temperature reveals that all the compositions exhibit a well-defined ferromagnetic to paramagnetic transition near the Curie temperature. A systematic decrease in the values of the Curie temperature is clearly observed upon Ni2+ doping. Probably the replacement of Mn3+ by Ni2+ ions in the La0.7Ca0.3MnO3 lattice weakens the Mn3+-O-Mn4+ double exchange interaction, which leads to a decrease in the transition temperature and the magnetic moment in the samples. By using Arrott plots, it was found that the phase transition from ferromagnetic to paramagnetic is second order. The maximum magnetic entropy changes observed for the x = 0 , 0.02 , 0.07, and 0.1 composites was 0.85, 0.77, 0.63, and 0.59 J/kg K, respectively, under a magnetic field of 1.5 T. In general, it was verified that the magnetic entropy change achieved for La0.7Ca0.3Mn1 - xNixO3 manganites synthesized via the auto-combustion method is higher than those reported for other manganites with comparable Ni2+-doping levels synthesized via standard solid state reaction. The addition of Ni2+ increases the value of the relative cooling power as compared to that of the parent compound. The highest value of this parameter (∼60 J/kg) is found for a Ni-doping level of 2% around 230 K in a field of 1.5 T.

  1. Effect of CDW and magnetic interactions on the e{sub g} electrons of the manganite systems

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G.C., E-mail: gcr@iopb.res.i [Condensed Matter Physics Group, P. G. Department of Applied Physics and Ballistics, F. M. University, Balasore 756 019 (India); Panda, S. [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India); Behera, S.N. [Institute of Materials Science, Planetarium Building, Bhubaneswar 751 013 (India)

    2009-11-15

    We address a model study which includes the co-existence of the charge density wave (CDW) and ferromagnetic interactions in order to explain the colossal magnetoresistance (CMR) in manganites. The Hamiltonian consists of the ferromagnetic Hund's rule exchange interaction between e{sub g} and t{sub 2g} spins, Heisenberg core spin interactions and the CDW interaction present in the e{sub g} band electrons. The core electron magnetization, induced e{sub g} electron magnetization and the CDW gap are calculated using Zubarev's Green's function technique and determined self-consistently. The effect of core electron magnetization and the CDW interaction on the induced magnetization as well as on the occupation number in the different spin states of the e{sub g} band electrons are investigated by varying the model parameters of the system like the CDW coupling, the exchange coupling, the Heisenberg coupling and the external field. It is observed that the induced magnetization exhibits re-entrant behaviour and exists within a narrow temperature range just below the Curie temperature. This unusual behaviour of the e{sub g} band electrons will throw some new insights on the physical properties of the manganite systems.

  2. Colossal Magnetoresistance Manganites and Related Prototype Devices

    OpenAIRE

    Liu, Yukuai; Yin, Yuewei; Li, Xiaoguang

    2013-01-01

    We review colossal magnetoresistance in single phase manganites, as related to the field sensitive spin charge interactions and phase separation; the rectifying property and negative/positive magnetoresistance in manganite/Nb:SrTiO3 pn junctions in relation to the special interface electronic structure; magnetoelectric coupling in manganite/ferroelectric structures that takes advantage of strain, carrier density, and magnetic field sensitivity; tunneling magnetoresistance in tunnel junctions ...

  3. Critical behavior of Y-doped Nd0.7Sr0.3MnO3 manganites exhibiting the tricritical point and large magnetocaloric effect

    International Nuclear Information System (INIS)

    Phan, The-Long; Ho, T.A.; Thang, P.D.; Tran, Q.T.; Thanh, T.D.; Phuc, N.X.; Phan, M.H.; Huy, B.T.; Yu, S.C.

    2014-01-01

    Highlights: • Tricritical point in Y-doped Nd 0.7 Sr 0.3 MnO 3 manganites. • A large magnetic-entropy change. • Magnetic inhomogeneity and phase separation. - Abstract: We have determined the values of critical exponents of two polycrystalline samples (Nd 1−x Y x ) 0.7 Sr 0.3 MnO 3 (x = 0 and 0.07) from the magnetization data versus temperature and magnetic field, M(H, T), to learn about their magnetic and magnetocaloric (MC) properties. The results reveal the samples exhibiting the crossover of first-order and second-order phase transitions, where the exponent values β = 0.271 and γ = 0.922 for x = 0, and β = 0.234–0.236 and γ = 1.044–1.063 for x = 0.07 determined by using modified Arrott plots and static-scaling hypothesis are close to those expected for the tricritical mean-field theory (β = 0.25 and γ = 1.0). Particularly, the T C of x = 0 and 0.07 can be any value in the temperature ranges of 240–255 K and 170–278 K, respectively, depending on the magnitude of applied magnetic field and determination techniques. Around the T C , studying the MC effect of the samples has revealed a large magnetic-entropy change (ΔS m ) up to ∼8 J/kg K for the applied field interval ΔH = 50 kOe, corresponding to refrigerant capacity values of 200–245 J/kg. These phenomena are related to the crossover nature and the persisting of FM/anti-FM interactions even above the T C , as further confirmed by electron-spin-resonance data, Curie–Weiss law-based analyses, and an exponential parameter characteristic of magnetic order n = dLn|ΔS m |/dLnH

  4. Synthesis, processing and characterization of the solid oxide half-cells cathode/electrolyte of strontium-doped lanthanum manganite/Yttria-stabilized zirconia

    International Nuclear Information System (INIS)

    Chiba, Rubens

    2010-01-01

    The ceramic films of strontium-doped lanthanum manganite (LSM) and strontium doped lanthanum manganite/Yttria-stabilized zirconia (LSM/YSZ) are used as cathodes of the high temperature solid oxide fuel cells (HTSOFC). These porous ceramic films had been deposited on the YSZ dense ceramic substrate, used as electrolyte, structural component of the module, thus conferring a configuration of half-cell called auto-support. The study of the half-cell it is basic, therefore in the interface cathode/electrolyte occurs the oxygen reduction reaction, consequently influencing in the performance of the HTSOFC. In this direction, the present work contributes for the processing of thin films, using the wet powder spraying technique, adopted for the conformation of the ceramic films for allowing the attainment of porous layers with thicknesses varied in the order of micrometers. The LSM powders were synthesized by the citrate technique and the LSM/YSZ powders synthesized by the solid mixture technique. In the stage of formation were prepared organic suspensions of LSM and LSM/YSZ fed by gravity in a manual aerograph. For the formation of the YSZ substrate was used a hydraulic uniaxial press. The attainment of solid oxide half-cells cathode/electrolyte was possible of crystalline structures hexagonal for phase LSM and cubic for phase YSZ. The half-cells micrographs show that the YSZ substrate is dense, enough to be used as solid electrolyte, and the LSM and LSM/YSZ films are presented porous with approximately 30 μm of thickness and good adherence between the cathodes and the electrolyte. The presence of composite cathode between the LSM cathode and YSZ substrate, presented an increase in the electrochemical performance in the oxygen reduction reaction. (author)

  5. Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

    Energy Technology Data Exchange (ETDEWEB)

    Weber, F.

    2007-11-02

    The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi{sub 2}B{sub 2}C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T{sub c}, for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2{delta}(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La{sub 2-2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7}. At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T{sub C}. The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO{sub 6} octahedra, which are introduced in this compound by the Jahn-Teller active Mn{sup 3+} ions. We observed strong renormalizations of the phonon frequencies and clear peaks of

  6. Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

    International Nuclear Information System (INIS)

    Weber, F.

    2007-01-01

    The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi 2 B 2 C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T c , for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2Δ(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La 2-2x Sr 1+2x Mn 2 O 7 . At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T C . The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO 6 octahedra, which are introduced in this compound by the Jahn-Teller active Mn 3+ ions. We observed strong renormalizations of the phonon frequencies and clear peaks of the intrinsic phonon linewidth near the order

  7. Structural and electronic transformations in substituted La-Sr manganites depending on cations and oxygen content

    Science.gov (United States)

    Karpasyuk, Vladimir; Badelin, Alexey; Merkulov, Denis; Derzhavin, Igor; Estemirova, Svetlana

    2018-05-01

    In the present research experimental data are obtained for the Jahn-Teller O‧ phase formation, phase transformation "orthorhombic-rhombohedral structure" and the change of the conductance type in the systems of manganites La3+1-c+xSr2+c-xMn3+1-c-x-2γMn4+c+2γZn2+xO3+γ, La3+1-c-xSr2+c+xMn3+1-c-x-2γMn4+c+2γGe4+xO3+γ, La3+1-cSr2+cMn3+1-x-c-2γMn4+c+2γ(Zn2+0.5Ge4+0.5)xO3+γ, where Mn4+ ions concentration is independent of "x". Ceramic samples were sintered in air at 1473 K. As-sintered samples had an excess of oxygen content. In order to provide stoichiometric oxygen content, the samples were annealed at 1223 K and partial pressure of oxygen PO2 = 10-1 Pа. Structural characteristics of the O‧ phase were obtained. The position of the phase boundary "orthorhombic-rhombohedral structure" and the temperature of the conductance type change depending on the cation composition of manganites and oxygen content were determined. Possible approaches to the interpretation of experimental results were suggested.

  8. Colossal magnetoresistance in manganites and related prototype devices

    International Nuclear Information System (INIS)

    Liu Yu-Kuai; Yin Yue-Wei; Li Xiao-Guang

    2013-01-01

    We review colossal magnetoresistance in single phase manganites, as related to the field sensitive spin-charge interactions and phase separation; the rectifying property and negative/positive magnetoresistance in manganite/Nb:SrTiO 3 p—n junctions in relation to the special interface electronic structure; magnetoelectric coupling in manganite/ferroelectric structures that takes advantage of strain, carrier density, and magnetic field sensitivity; tunneling magnetoresistance in tunnel junctions with dielectric, ferroelectric, and organic semiconductor spacers using the fully spin polarized nature of manganites; and the effect of particle size on magnetic properties in manganite nanoparticles. (topical review - magnetism, magnetic materials, and interdisciplinary research)

  9. Microstructural, Magnetic, and Optical Properties of Pr-Doped Perovskite Manganite La0.67Ca0.33MnO3 Nanoparticles Synthesized via Sol-Gel Process

    Science.gov (United States)

    Xia, Weiren; Wu, Heng; Xue, Piaojie; Zhu, Xinhua

    2018-05-01

    We report on microstructural, magnetic, and optical properties of Pr-doped perovskite manganite (La1 - xPrx)0.67Ca0.33MnO3 (LPCMO, x = 0.0-0.5) nanoparticles synthesized via sol-gel process. Structural characterizations (X-ray and electron diffraction patterns, (high resolution) TEM images) provide information regarding the phase formation and the single-crystalline nature of the LPCMO systems. X-ray and electron diffraction patterns reveal that all the LPCMO samples crystallize in perovskite crystallography with an orthorhombic structure ( Pnma space group), where the MnO6 octahedron is elongated along the b axis due to the Jahn-Teller effect. That is confirmed by Raman spectra. Crystallite sizes and grain sizes were calculated from XRD and TEM respectively, and the lattice fringes resolved in the high-resolution TEM images of individual LPCMO nanoparticle confirmed its single-crystalline nature. FTIR spectra identify the characteristic Mn-O bond stretching vibration mode near 600 cm- 1, which shifts towards high wavenumbers with increasing post-annealing temperature or Pr-doping concentration, resulting in further distortion of the MnO6 octahedron. XPS revealed dual oxidation states of Mn3+ and Mn4+ in the LPCMO nanoparticles. UV-vis absorption spectra confirm the semiconducting nature of the LPCMO nanoparticles with optical bandgaps of 2.55-2.71 eV. Magnetic measurements as a function of temperature and magnetic field at field cooling and zero-field cooling modes, provided a Curie temperature around 230 K, saturation magnetization of about 81 emu/g, and coercive field of 390 Oe at 10 K. Such magnetic properties and the semiconducting nature of the LPCMO nanoparticles will make them as suitable candidate for magnetic semiconductor spintronics.

  10. Electronic Raman response in electron-doped cuprate superconductors

    International Nuclear Information System (INIS)

    Geng Zhihao; Feng Shiping

    2012-01-01

    The electronic Raman response in the electron-doped cuprate superconductors is studied based on the t-t'-J model. It is shown that although the domelike shape of the doping dependent peak energy in the B 2g symmetry is a common feature for both electron-doped and hole-doped cuprate superconductors, there are pronounced deviations from a cubic response in the B 2g channel and a linear response in the B 2g channel for the electron-doped case in the low energy limit. It is also shown that these pronounced deviations are mainly caused by a nonmonotonic d-wave gap in the electron-doped cuprate superconductors.

  11. Processing of strontium-doped lanthanum manganite suspensions for cathode production of the solid oxide fuel cell; Processamento das suspensoes de manganito de lantanio dopado com estroncio para fabricacao do catodo da celula a combustivel de oxido solido

    Energy Technology Data Exchange (ETDEWEB)

    Chiba, R.; Vargas, R.A.; Andreoli, M.; Seo, E.S.M. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Ciencia e Tecnologia de Materiais. Lab. de SOFC - Insumos e Componentes

    2008-07-01

    The ceramic material, strontium-doped lanthanum manganite (La{sub 0,85}Sr{sub 0,15}MnO{sub 3} - LSM), has been used as cathode in Solid Oxide Fuel Cells (SOFCs). The cathode attainment as component of the SOFCs has been studied for diverse routes of synthesis and thin films forming in Yttria-stabilized zirconia (ZrO{sub 2}/Y{sub 2}O{sub 3} - YSZ) electrolyte. In this work, the LSM was synthesized by the citrate technique and deposited in YSZ substrate using the forming technique wet powder spraying. Rheological studies of suspensions and chemical, physical and microstructural characterizations of LSM powders were made, aiming at the deposition for thin films formation until 50 mum. The half unit cells LSM/YSZ sintered were characterized by scanning electron microscopy, for verification of porosity and adherence. In this sense, this work is a contribution for production of porous cathode using the forming technique wet powder spraying in the SOFCs. (author)

  12. Magnetoelectric effects in manganites

    Science.gov (United States)

    Jeen, Hyoung Jeen

    Research on manganites has been conducted for more than half century. Recent discoveries of colossal responses to external fields such as colossal magnetoresistance effects and correlation among spin, orbital, and lattice in phase separated manganites and multiferroic manganites have motivated me to understand these materials. The main purpose of this dissertation is to understand magnetoelectric effects in phase separated (La1-yPr y)1-xCaxMnO3 (LPCMO) thin films and multiferroic BiMnO3 (BMO) thin films. First, high quality phase separated manganite thin films have been successfully grown. To grow the high quality manganite thin films, extensive effort was devoted to fine tuning of oxygen pressure, temperature, and laser fluence during film growth. As-grown films were characterized with various ex-situ techniques: magnetization measurements, transport measurements, x-ray diffraction, atomic force microscopy, and/or transmission electron microscopy to remove the effects of impurities and unwanted strains except substrate induced strain. Second, three major results were obtained in high quality phase separated LPCMO thin films. These results are based on the dynamic nature of phases in LPCMO. 1) LPCMO thin films showed single domain to multi-domain transition during cooling. This transition can be tuned by substrate stress induced in-plane magnetic anisotropy. 2) Evidence for the origin of colossal electroresistance (CER) effect has been observed. The CER is triggered by dielectrophoresis, or movements of ferromagnetic metallic (FMM) phase, which is manifested in anisotropic transport properties in microfabricated LPCMO cross structures. This fluidic nature of the FMM phase in LPCMO under high electric fields lead to exotic magnetoelectric effects. 3) Electric field effects on magnetotransport properties have been observed. This phenomena can also be tuned by the combined effect of substrate strain and current flow. This combined effect of electric and magnetic

  13. Surface Spin Glass Ordering and Exchange Bias in Nanometric Sm0.09Ca0.91MnO3 Manganites

    Science.gov (United States)

    Giri, S. K.; Nath, T. K.

    2011-07-01

    We have thoroughly investigated the entire magnetic state of under doped ferromagnetic insulating manganite Sm0.09Ca0.91MnO3 through temperature dependent linear and non-linear ac magnetic susceptibility and magnetization measurements. This ferromagnetic insulating manganite is found to have frequency dependent ferromagnetic to paramagnetic transition temperature at around 108 K. Exchange- bias effect are observed in field -cooled magnetic hysteresis loops for this nanoparticle. We have attributed our observation to the formation of ferromagnetic cluster which are formed as a consequence of intrinsic phase separation below certain temperature in this under doped manganites. We have carried out electronic- and magneto-transport measurements to support these observed results.

  14. Giant magnetoelectric effect in pure manganite-manganite heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Sanjukta; Pankaj, Ravindra; Yarlagadda, Sudhakar; Majumdar, Pinaki; Littlewood, Peter B.

    2017-11-01

    Obtaining strong magnetoelectric couplings in bulk materials and heterostructures is an ongoing challenge. We demonstrate that manganite heterostructures of the form (Insulator) /(LaMnO3)(n)/Interface/(CaMnO3)(n)/(Insulator) show strong multiferroicity in magnetic manganites where ferroelectric polarization is realized by charges leaking from LaMnO3 to CaMnO3 due to repulsion. Here, an effective nearest-neighbor electron-electron (electron-hole) repulsion (attraction) is generated by cooperative electron-phonon interaction. Double exchange, when a particle virtually hops to its unoccupied neighboring site and back, produces magnetic polarons that polarize antiferromagnetic regions. Thus a striking giant magnetoelectric effect ensues when an external electrical field enhances the electron leakage across the interface.

  15. Magnetic ordering and charge transport in electron-doped La1-yCeyMnO3 (0.1 ≤ y ≤ 0.3) films

    International Nuclear Information System (INIS)

    Prokhorov, V.G.; Kaminsky, G.G.; Flis, V.S.; Hyun, Y.H.; Park, S.Y.; Lee, Y.P.; Svetchnikov, V.L.

    2009-01-01

    The microstructure and the magnetic and transport properties of as-deposited La 10-y Ce y MnO 3 (0.1≤ y≤ 0.3) films prepared by pulsed laser deposition are investigated in a wide region of temperature and magnetic field. The microstructure analysis reveals that all films have a high c-oriented texture, an orthorhombic crystal lattice, and a negligible quantity of CeO 2 inclusions. The observed strip-domain phase with a periodic spacing of about 3c, the crystal lattice of which is the same as for the basic film phase, exhibits magnetic behavior typical for the Griffiths phase. Regions of the double-period modulated phase are found at room temperature in the y=0.1 film, which is interpreted as Mn 3+ /Mn 2+ ordering with a partial ferromagnetic → antiferromagnetic transition at T N ≤ 80 K. At the same time, the investigation reveals that the magnetic and transport properties of the electron-doped La 1-y Ce y MnO 3 films, driven by cation doping, are similar to those for the hole-doped La/Ca manganites. Therefore, one can conclude that there is no fundamental difference between the mechanisms of spin ordering and charge transport in the hole-doped and electron-doped manganites

  16. Reentrant behavior in Cr doped bilayer manganite LaSr{sub 2}Mn{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Bhatia, S.N., E-mail: snbhatia@phy.iitb.ac.in; Mohapatra, Niharika

    2017-07-15

    Highlights: • The FM and the AFM states merge into each other thereby creating an inhomogeneous state. • Cr{sup 3+} creates ferromagnetic moments which behave like FM relaxors. • Electric conduction takes via hopping of small polaron and not by variable range hopping of these polarons. - Abstract: We have studied the effect of replacing Mn{sup 3+} by Cr{sup 3+} on the structure, transport and magnetism in the bilayered manganite LaSr{sub 2}Mn{sub 2}O{sub 7}. Although no structural transition was observed in LaSr{sub 2}Mn{sub 2−y}Cr{sub y}O{sub 7} (0.1 ≤ y ≤ 0.6), the electrical transport and the magnetic properties were found to be affected significantly by this substitution. Substitution of Cr{sup 3+} reduces the conductivity by restricting the hopping of small polarons. Magnetization increases with increasing Cr{sup 3+} concentration suggesting that Cr{sup 3+}-ions induce ferromagnetic moments. The ferromagnetic and an antiferromagnetic phase observed above ∼60 K merge into an inhomogeneous phase below this temperature. Thermopower yields an essentially concentration independent charge density nearly equal to its value for chromium free composition inspite of its expected decrease with this substitution suggesting that the small charge density of the insulating AFM phase is supplemented by the free carriers in the FM phase. The inhomogeneous phase shows a relaxor type behavior which contrasts with the spin glass behavior seen in La{sub 0.46}Sr{sub 0.54}Mn{sub 0.98}Cr{sub 0.02}O{sub 3} having an identical AFM magnetic state. The difference is attributed to the non-JT character of Cr-ions which reduce the distortion of the Mn−O octahedra located within the FM domains. With a higher lattice strain in the surrounding AFM matrix the carriers remain confined within the FM domains leading to the relaxor type behavior.

  17. Doping dependent magnetism and exchange bias in CaMn{sub 1−x}W{sub x}O{sub 3} manganites

    Energy Technology Data Exchange (ETDEWEB)

    Markovich, V., E-mail: markoviv@bgu.ac.il; Gorodetsky, G. [Department of Physics, Ben-Gurion University of the Negev, 84105 Beer-Sheva (Israel); Fita, I. [Institute of Physics, Polish Academy of Sciences, Aleja Lotnikow 32/46, PL-02-668 Warsaw (Poland); Donetsk Institute for Physics and Technology, National Academy of Sciences, 83114 Donetsk (Ukraine); Wisniewski, A.; Puzniak, R. [Institute of Physics, Polish Academy of Sciences, Aleja Lotnikow 32/46, PL-02-668 Warsaw (Poland); Mogilyansky, D. [The Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Naumov, S. V.; Mostovshchikova, E. V.; Telegin, S. V. [Institute of Metal Physics, Ural Branch of RAS, Kovalevskaya Street 18, Ekaterinburg 620990 (Russian Federation); Jung, G. [Department of Physics, Ben-Gurion University of the Negev, 84105 Beer-Sheva (Israel); Institute of Physics, Polish Academy of Sciences, Aleja Lotnikow 32/46, PL-02-668 Warsaw (Poland)

    2014-09-07

    Magnetic properties of CaMn{sub 1−x}W{sub x}O{sub 3} (0 ≤ x ≤ 0.1) have been investigated, and the research was focused on the exchange bias (EB) phenomenon in CaMn{sub 0.93}W{sub 0.07}O{sub 3}. Magnetic ground state was found to be dependent on tungsten doping level and the following states were distinguished: (i) G-type antiferromagnetic (AFM) state with a weak ferromagnetic (FM) component at x = 0 and 0.04; (ii) mostly orbitally ordered C-type AFM at x = 0.07 and 0.1. For the studied manganites, spontaneous magnetization increases sharply with increasing doping level reaching M{sub 0} ≈ 9.5 emu/g at T = 10 K for x = 0.04, and then decreases rapidly reaching zero for x = 0.1. Exchange bias effect, manifested by vertical and horizontal shifts in the hysteresis loop for field cooled sample, has been observed in CaMn{sub 0.93}W{sub 0.07}O{sub 3}. Exchange bias field, coercivity, remanence asymmetry, and magnetic coercivity depend strongly on temperature, cooling field, and maximal measuring field. Horizontal and vertical shifts of magnetization loop sharply decrease with increasing temperature and vanish above 70 K, whereas coercivity and magnetic coercivity disappear only above 100 K (temperature of transition to the G-type AFM state). The exchange bias field H{sub EB} increases with increasing cooling field H{sub cool} and goes through a broad maximum at 40 kOe, while the remanence asymmetry increases monotonously in the entire investigated cooling field range, up to 50 kOe. For the compound with x = 0.07, the size of the FM regions ≈2 nm was estimated from the dependence of exchange bias field H{sub EB} upon H{sub cool}. It is suggested that the exchange bias originates from interface exchange coupling between small FM clusters and the G-type AFM phase inside the primary C-type orbitally ordered AFM phase.

  18. The role of disorder in Fe-doped CMR manganites as explored by μSR spectroscopy

    International Nuclear Information System (INIS)

    Gutierrez, J.; Bermejo, F.J.; Barandiaran, J.M.; Cottrell, S.P.; Romano, P.; Mondelli, C.; Fernandez Barquin, L.; Pena, A.

    2006-01-01

    A study on the effect of Fe doping on the magnetic properties of La 0.7 Pb 0.3 Mn 1-x Fe x O x , x=0 and x=0.2 perovskites is conducted using muon spectroscopy and macroscopic static magnetization measurements. For x=0, magnetization curves show a clear ferromagnetic component while a 20% Fe doping leads to the appearance of a kink in zero-field curves at low temperatures, attributed to progressive spin freezing together with a reduction of the ferromagnetic component. On dynamic grounds, we show that this effect translates into the appearance of non-exponential relaxation as T c is crossed from above. d from above

  19. Electron transport in doped fullerene molecular junctions

    Science.gov (United States)

    Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

    The effect of doping on the electron transport of molecular junctions is analyzed in this paper. The doped fullerene molecules are stringed to two semi-infinite gold electrodes and analyzed at equilibrium and nonequilibrium conditions of these device configurations. The contemplation is done using nonequilibrium Green’s function (NEGF)-density functional theory (DFT) to evaluate its density of states (DOS), transmission coefficient, molecular orbitals, electron density, charge transfer, current, and conductance. We conclude from the elucidated results that Au-C16Li4-Au and Au-C16Ne4-Au devices behave as an ordinary p-n junction diode and a Zener diode, respectively. Moreover, these doped fullerene molecules do not lose their metallic nature when sandwiched between the pair of gold electrodes.

  20. Studies on charge transport in Al–doped La{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Al{sub x}O{sub 3} manganites

    Energy Technology Data Exchange (ETDEWEB)

    Rathod, Jalshikhaba S. [C.U. Shah Technical Institute of Diploma Studies, C.U. Shah University, Surendranagar 363030 (India); Keshvani, M.J. [B.H. Gardi College of Engineering and Technology, Rajkot 361162 (India); Department of Physics, Saurashtra University, Rajkot 360005 (India); Solanki, P.S.; Pandya, D.D.; Kataria, Bharat; Shah, N.A. [Department of Physics, Saurashtra University, Rajkot 360005 (India); Kuberkar, D.G., E-mail: dgkuberkar@gmail.com [Department of Physics, Saurashtra University, Rajkot 360005 (India)

    2015-12-01

    In this communication, we report the results of the studies on the effect of non-magnetic Al{sup 3+}-doping on structure and properties of La{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Al{sub x}O{sub 3} (LCMAO) manganites synthesized by conventional solid state reaction (SSR) route. The Rietveld refinement of the X-ray diffraction (XRD) data confirms the single phasic nature of the samples without any detectable impurities. All the samples exhibit metal to insulator transition (T{sub P}) which decrease with increase in Al{sup 3+} doping concentration while it increases with applied magnetic field. To understand the nature of charge transport in metallic and insulating regions of resistivity, various models and mechanisms have been used to fit the observed experimental data.

  1. Reversibility of magnetic field driven transition from electronic phase separation state to single-phase state in manganites: A microscopic view

    Science.gov (United States)

    Liu, Hao; Lin, Lingfang; Yu, Yang; Lin, Hanxuan; Zhu, Yinyan; Miao, Tian; Bai, Yu; Shi, Qian; Cai, Peng; Kou, Yunfang; Lan, Fanli; Wang, Wenbin; Zhou, Xiaodong; Dong, Shuai; Yin, Lifeng; Shen, Jian

    2017-11-01

    Electronic phase separation (EPS) is a common phenomenon in strongly correlated oxides. For colossal magnetoresistive (CMR) manganites, the EPS is so pronounced that not only does it govern the CMR behavior, but also raises a question whether EPS exists as a ground state for systems or a metastable state. While it has been well known that a magnetic field can drive the transition of the EPS state into a single-phase state in manganites, the reversibility of this transition is not well studied. In this work we use magnetic force microscopy (MFM) to directly visualize the reversibility of the field driven transition between the EPS state and the single-phase state at different temperatures. The MFM images correspond well with the global magnetic and transport property measurements, uncovering the underlying mechanism of the field driven transition between the EPS state and the single-phase state. We argue that EPS state is a consequence of system quenching whose response to an external magnetic field is governed by a local energy landscape.

  2. Influence of the particle size reduction on magnetic properties of electron-doped Ca1-xYxMnO3

    OpenAIRE

    Alqat Aboalqasim; Gebrel Zohra; Spasojević Vojislav; Kusigerski Vladan; Bošković Snežana; Blanuša Jovan

    2012-01-01

    The electron-doped magnetic nanoparticles of Ca1-xYxMnO3 (x = 0, 0.05, 0.10, 0.15, 0.20, and 0.30) manganite with an average particle size of 50 nm are analyzed and discussed in relation to their bulk counterparts. Nanoparticle samples show dominant anti-ferromagnetic ordering with a significant increase of coercivity, with the maximum value of 0.9 T for x = 0. Particle size reduction in Ca1-xYxMnO3 retains the bulk-like magnetic behavior of samples having up to 15% of Y3+, with the sma...

  3. Iron-Doped (La,Sr)MnO3 Manganites as Promising Mediators of Self-Controlled Magnetic Nanohyperthermia.

    Science.gov (United States)

    Shlapa, Yulia; Kulyk, Mykola; Kalita, Viktor; Polek, Taras; Tovstolytkin, Alexandr; Greneche, Jean-Marc; Solopan, Sergii; Belous, Anatolii

    2016-12-01

    Fe-doped La0.77Sr0.23Mn1 - y Fe y O3 nanoparticles have been synthesized by sol-gel method, and ceramic samples based on them were sintered at 1613 K. Crystallographic and magnetic properties of obtained nanoparticles and ceramic samples have been studied. It has been established that cell volume for nanoparticles increases with growing of iron content, while this dependence displays an opposite trend in the case of ceramic samples. Mössbauer investigations have shown that in all samples, the oxidation state of iron is +3. According to magnetic studies, at room temperature, both nanoparticles and ceramic samples with y ≤ 0.06 display superparamagnetic properties and samples with y ≥ 0.08 are paramagnetic. Magnetic fluids based on La0.77Sr0.23Mn1 - y Fe y O3 nanoparticles and aqua solution of agarose have been prepared. It has been established that heating efficiency of nanoparticles under an alternating magnetic field decreases with growing of iron content.

  4. Structural, magnetic and electronic properties on the Li-doped manganites

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, A.M. [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); Papavassiliou, G. [Institute of Materials Science, NCSR Demokritos, Aghia Paraskevi (Greece); Mohamed, H.F., E-mail: h.fathy@science.sohag.edu.eg [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); Ibrahim, E.M.M. [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt)

    2015-10-15

    We present results of a comprehensive investigation of the structural, frequency dependent ac susceptibility, dc magnetization, magnetoresistance and thermoelectric power measurements on polycrystalline samples of La{sub 1−x}Li{sub x}MnO{sub 3} (0.05≤x≤0.30). All samples undergo ferromagnetic to paramagnetic transition and metal to semiconductor transition. A cusp in the zero field-cooled in dc magnetization and a frequency-dependent peak in the ac susceptibility reveal the glassy behaviors. The out of phase component of the ac susceptibility shows frequency-dependent peaks below the Curie temperature (indicative of glassy behavior) which have previously been interpreted in terms of freezing of clusters. The grain boundaries play a dominant role in the conduction process. The framework of the magnon and phonon drag concept analyzed thermoelectric power data at low temperature, while small polaron conduction mechanism explained thermoelectric power data at high temperature. It has been found that the percolation threshold sample is x=0.10, so the author’s point of view refers to make spot on this sample in the future works. - Highlights: • The investigated samples undergo FM to PM and metal to semiconductor transition. • The M(T){sub ZFC} and χ(T){sub ZFC} measurements reveal that the glassy behaviors. • The χ''(T){sub ZFC} shows dependent peak where interpreted in the cluster freeze. • The TEP data analyzed in the magnon and phonon drag, and small polaron mechanism.

  5. Broadband electron spin resonance in a nanosized La{sub 0.25}Ca{sub 0.75}MnO{sub 3} manganite

    Energy Technology Data Exchange (ETDEWEB)

    Fernàndez-Martínez, Antoni; García-Santiago, Antoni, E-mail: agarciasan@ub.edu; Hernàndez, Joan Manel [Grup de Magnetisme, Departament de Física Fonamental, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, planta 4, 08028 Barcelona (Spain); Institut de Nanociència i Nanotecnologia IN2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain); Zhang, Tao [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2014-08-07

    The microwave response of a nanogranular La{sub 0.25}Ca{sub 0.75}MnO{sub 3} manganite has been studied by means of broadband electron spin resonance experiments performed in a commercial magnetic properties measurement system magnetometer using two purpose-built probes. The results concur with the hydrodynamic model for spin-glass systems and allow to determine the gyromagnetic ratio and the effective uniaxial magnetic anisotropy constant in a wide range of temperatures. The thermal behavior of both magnitudes provides information about structural transitions and magnetic interactions within the nanosized grains that make the sample. The experiments enable to corroborate the validity of the applied model in this kind of magnetic systems.

  6. Lorentz transmission electron microscopy on nanometric magnetic bubbles and skyrmions in bilayered manganites La{sub 1.2}Sr{sub 1.8}(Mn{sub 1−y}Ru{sub y}){sub 2}O{sub 7} with controlled magnetic anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Morikawa, D.; Yu, X. Z.; Kaneko, Y. [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Tokunaga, Y.; Arima, T. [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Department of Advanced Materials Science, University of Tokyo, Kashiwa 277-8561 (Japan); Nagai, T.; Kimoto, K. [Transmission Electron Microscopy Station and Surface Physics and Structure Unit, National Institute for Materials Science (NIMS), Tsukuba 305-0044 (Japan); Tokura, Y. [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Department of Applied Physics, University of Tokyo, Tokyo 113-8656 (Japan)

    2015-11-23

    We have investigated nanometric magnetic textures in thin (<150 nm) plates of Ru-doped bilayered manganites La{sub 1.2}Sr{sub 1.8}(Mn{sub 1−y}Ru{sub y}){sub 2}O{sub 7}. Ru substitution for Mn site changes the magnetic anisotropy from in-plane to out-of-plane easy axis type without any significant change of global magnetic and crystal structures. The combination of conventional and Lorentz transmission electron microscopy observations confirms the emergence of magnetic bubbles and skyrmions in the absence of magnetic field. With the changing Ru concentration, systematic changes in the type of magnetic bubbles are observed. A tiny residual magnetic field also affects the generation and the type-change of magnetic bubbles.

  7. Invariant exchange perturbation theory for multicenter systems and its application to the calculation of magnetic chains in manganites

    International Nuclear Information System (INIS)

    Orlenko, E. V.; Ershova, E. V.; Orlenko, F. E.

    2013-01-01

    The formalism of exchange perturbation theory is presented with regard to the general principles of constructing an antisymmetric vector with the use of the Young diagrams and tableaux in which the coordinate and spin parts are not separated. The form of the energy and wave function corrections coincides with earlier obtained expressions, which are reduced in the present paper to a simpler form of a symmetry-adapted perturbation operator, which preserves all intercenter exchange contributions. The exchange perturbation theory (EPT) formalism itself is presented in the standard form of invariant perturbation theory that takes into account intercenter electron permutations between overlapping nonorthogonal states. As an example of application of the formalism of invariant perturbation theory, we consider the magnetic properties of perovskite manganites La 1/3 Ca 2/3 MnO 3 that are associated with the charge and spin ordering in magnetic chains of manganese. We try to interpret the experimental results obtained from the study of the effect of doping the above alloys by the model of superexchange interaction in manganite chains that is constructed on the basis of the exchange perturbation theory (EPT) formalism. The model proposed makes it possible to carry out a quantitative analysis of the effect of substitution of manganese atoms by doping elements with different electron configurations on the electronic structure and short-range order in a magnetic chain of manganites

  8. Critical behavior of Y-doped Nd{sub 0.7}Sr{sub 0.3}MnO{sub 3} manganites exhibiting the tricritical point and large magnetocaloric effect

    Energy Technology Data Exchange (ETDEWEB)

    Phan, The-Long; Ho, T.A. [Department of Physics, Chungbuk National University, Cheongju 361-763 (Korea, Republic of); Thang, P.D. [Faculty of Engineering Physics and Nanotechnology, VNU-University of Engineering and Technology, Xuan Thuy, Cau Giay, Hanoi (Viet Nam); Tran, Q.T. [Center for Science and Technology Communication, Ministry of Science and Technology, 113 Tran Duy Hung, Hanoi (Viet Nam); Thanh, T.D.; Phuc, N.X. [Institute of Materials Science, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi (Viet Nam); Phan, M.H. [Department of Physics, University of South Florida, Tampa, FL 33620 (United States); Huy, B.T. [Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of); Yu, S.C., E-mail: scyu@chungbuk.ac.kr [Department of Physics, Chungbuk National University, Cheongju 361-763 (Korea, Republic of)

    2014-12-05

    Highlights: • Tricritical point in Y-doped Nd{sub 0.7}Sr{sub 0.3}MnO{sub 3} manganites. • A large magnetic-entropy change. • Magnetic inhomogeneity and phase separation. - Abstract: We have determined the values of critical exponents of two polycrystalline samples (Nd{sub 1−x}Y{sub x}){sub 0.7}Sr{sub 0.3}MnO{sub 3} (x = 0 and 0.07) from the magnetization data versus temperature and magnetic field, M(H, T), to learn about their magnetic and magnetocaloric (MC) properties. The results reveal the samples exhibiting the crossover of first-order and second-order phase transitions, where the exponent values β = 0.271 and γ = 0.922 for x = 0, and β = 0.234–0.236 and γ = 1.044–1.063 for x = 0.07 determined by using modified Arrott plots and static-scaling hypothesis are close to those expected for the tricritical mean-field theory (β = 0.25 and γ = 1.0). Particularly, the T{sub C} of x = 0 and 0.07 can be any value in the temperature ranges of 240–255 K and 170–278 K, respectively, depending on the magnitude of applied magnetic field and determination techniques. Around the T{sub C}, studying the MC effect of the samples has revealed a large magnetic-entropy change (ΔS{sub m}) up to ∼8 J/kg K for the applied field interval ΔH = 50 kOe, corresponding to refrigerant capacity values of 200–245 J/kg. These phenomena are related to the crossover nature and the persisting of FM/anti-FM interactions even above the T{sub C}, as further confirmed by electron-spin-resonance data, Curie–Weiss law-based analyses, and an exponential parameter characteristic of magnetic order n = dLn|ΔS{sub m}|/dLnH.

  9. Structural, magnetic and magneto-transport properties of monovalent doped manganite Pr{sub 0.55}K{sub 0.05}Sr{sub 0.4}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Thaljaoui, R., E-mail: thaljaoui@gmail.com [Laboratoire de Physique des Matériaux, Faculté des Sciences de Sfax, Université de Sfax, B.P. 1171, 3000 Sfax (Tunisia); Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw (Poland); Department of Chemistry, University of Warsaw, Al. Zwirki i Wigury 101, 02-089 Warsaw (Poland); Boujelben, W. [Laboratoire de Physique des Matériaux, Faculté des Sciences de Sfax, Université de Sfax, B.P. 1171, 3000 Sfax (Tunisia); Pękała, M. [Department of Chemistry, University of Warsaw, Al. Zwirki i Wigury 101, 02-089 Warsaw (Poland); Pękała, K.; Antonowicz, J. [Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw (Poland); Fagnard, J.-F.; Vanderbemden, Ph. [SUPRATECS, Department of Electrical Engineering and Computer Science (B28), University of Liege (Belgium); Dąbrowska, S. [Warsaw University of Technology, Faculty of Materials Science, ul. Wołoska 141, 02-507 Warsaw (Poland); Mucha, J. [Institute of Low Temperature Physics and Structural Research, 50-422 Wrocław (Poland)

    2014-10-25

    Highlights: • Investigation of a new monovalent doped manganite Pr{sub 0.55}K{sub 0.05}Sr{sub 0.4}MnO{sub 3}. • The stability of the sample has been carried by using the DTA analysis. • Magnetic entropy change around 2.26 J kg{sup −1} K{sup −1} resulting RCP value of 70 J/kg for an applied magnetic field of 2 T. • Second order phase transition is confirmed by Arrott plots: A and B Landau coefficients. • Thermal conductivity values are found to be higher for sample with the largest crystallite sizes. - Abstract: Pr{sub 0.55}K{sub 0.05}Sr{sub 0.4}MnO{sub 3} sample have been synthesized using the conventional solid state reaction. Rietveld refinements of the X-ray diffraction patterns at room temperature confirm that the sample is single phase and crystallizes in the orthorhombic structure with Pnma space group; the crystallite size is around 70 nm. The SEM images show that grain size spreads around 1000–1200 nm. DTA analysis does not reveal any clear transition in temperature range studied. The low-temperature DSC indicates that Curie temperature is around 297 K. Magnetization measurements in a magnetic applied field of 0.01 T exhibit a paramagnetic–ferromagnetic transition at the Curie temperature T{sub C} = 303 K. A magnetic entropy change under an applied magnetic field of 2 T is found to be 2.26 J kg{sup −1} K{sup −1}, resulting in a large relative cooling power around 70 J/kg. Electrical resistivity measurements reveal a transition from semiconductor to metallic phase. The thermal conductivity is found to be higher than that reported for undoped and Na doped manganites reported by Thaljaoui et al. (2013)

  10. Interaction between the magnetic moments of the 3d and the 4f electrons in manganite, probed by Ga substitution

    International Nuclear Information System (INIS)

    Ling Langsheng; Zhang Lei; Tong Wei; Qu Zhe; Pi Li; Zhang Yuheng

    2012-01-01

    The substitution of Ga for Mn in manganite Nd 0.6 Dy 0.1 Sr 0.3 MnO 3 with a ferromagnetic (FM) ground state has been performed to study the influence of the Mn-sublattice magnetic ordering on the magnetic rare-earth sublattice. It is found that the substitution of Mn 3+ with Ga 3+ ions results in a sharp decrease of T C , reflecting the reduction of the double-exchange interactions strength J Mn–Mn . At the same time, a depinning effect of the rare-earth magnetic moment has been observed. This behavior unambiguously proves that the exchange interaction between Mn and rare-earth ions J Mn–R strongly influences the rare-earth magnetic ordering at temperatures below T C and stabilizes the rare-earth magnetic ground state.

  11. Contribution of Jahn-Teller and charge transfer excitations to the photovoltaic effect of manganite/titanite heterojunctions

    Science.gov (United States)

    Ifland, Benedikt; Hoffmann, Joerg; Kressdorf, Birte; Roddatis, Vladimir; Seibt, Michael; Jooss, Christian

    2017-06-01

    The effect of correlation effects on photovoltaic energy conversion at manganite/titanite heterojunctions is investigated. As a model system we choose a heterostructure consisting of the small polaron absorber Pr0.66Ca0.34MnO3 (PCMO) epitaxially grown on single-crystalline Nb-doped SrTi0.998Nb0.002O3 (STNO) substrates. The high structural and chemical quality of the interfaces is proved by detailed characterization using high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) studies. Spectrally resolved and temperature-dependent photovoltaic measurements show pronounced contributions of both the Jahn-Teller (JT) excitations and the charge transfer (CT) transitions to the photovoltaic effect at different photon energies. A linear temperature dependence of the open-circuit voltage for an excitation in the PCMO manganite is only observed below the charge-ordering temperature, indicating that the diffusion length of the photocarrier exceeds the size of the space charge region. The photovoltaic response is compared to that of a heterojunction of lightly doped Pr0.05Ca0.95MnO3 (CMO)/STNO, where the JT transition is absent. Here, significant contributions of the CT transition to the photovoltaic effect set in below the Neel temperature. We conclude that polaronic correlations and ordering effects are essentials for photovoltaic energy conversion in manganites.

  12. Magnetic two-dimensional electron gas at the manganite-buffered LaAlO3/SrTiO3 interface

    DEFF Research Database (Denmark)

    R. Zhang, H.; Zhang, Y.; Zhang, H.

    2017-01-01

    Fabrication of highly mobile spin-polarized two-dimensional electron gas (2DEG) is crucially important for both fundamental and applied research. Usually, spin polarization appears below 10 K for the 2DEG of LaAlO3/SrTiO3 interface, stemming from the magnetic ordering of Ti3+ ions with the mediat......Fabrication of highly mobile spin-polarized two-dimensional electron gas (2DEG) is crucially important for both fundamental and applied research. Usually, spin polarization appears below 10 K for the 2DEG of LaAlO3/SrTiO3 interface, stemming from the magnetic ordering of Ti3+ ions...... with the mediation of itinerant electrons. Herein, we report a magnetic 2DEG at a La7/8Sr1/8MnO3-buffered LaAlO3/SrTiO3 interface, which simultaneously shows electrically tunable anomalous Hall effect and high conductivity. The spin-polarized temperature for the 2DEG is promoted to 30 K while the mobility remains...... high. The magnetism likely results from a gradient manganese interdiffusion into SrTiO3. The present work demonstrates the great potential of manganite-buffered LaAlO3/SrTiO3 interfaces for spintronic applications....

  13. Revival of ferromagnetic behavior in charge-ordered Pr0.75Na0.25MnO3 manganite by ruthenium doping at Mn site and its MR effect

    Science.gov (United States)

    Elyana, E.; Mohamed, Z.; Kamil, S. A.; Supardan, S. N.; Chen, S. K.; Yahya, A. K.

    2018-02-01

    Ru doping in charge-ordered Pr0.75Na0.25Mn1-xRuxO3 (x = 0-0.1) manganites was studied to investigate its effect on structure, electrical transport, magnetic properties, and magnetotransport properties. DC electrical resistivity (ρ), magnetic susceptibility, and χ' measurements showed that sample x = 0 exhibits insulating behavior within the entire temperature range and antiferromagnetic (AFM) behavior below the charge-ordering (CO) transition temperature TCO of 221 K. Ru4+ substitution (x>0.01) suppressed the CO state, which resulted in the revival of paramagnetic to ferromagnetic (FM) transition at the Curie temperature Tc, increasing from 120 K (x = 0.01) to 193 K (x = 0.1). Deviation from the Curie-Weiss law above Tc in the 1/χ' versus T plot for x = 0.01 doped samples indicated the existence of Griffiths phase with Griffith temperature at 169 K. Electrical resistivity measurements showed that Ru4+ substitution increased the metallic-to-insulating transition temperature TMI from 144 K (x = 0.01) to 192 K (x = 0.05) due to enhanced double-exchange mechanism, but TMI decreased to 176 K (x = 0.1) probably due to the existence of AFM clusters within the FM domain. The present work also discussed the possible theoretical models at the resistivity curve of Pr0.75Na0.25Mn1-xRuxO3 (x = 0-0.1) for the entire temperature range.

  14. Electron-doping by hydrogen in transition-metal dichalcogenides

    Science.gov (United States)

    Oh, Sehoon; Im, Seongil; Choi, Hyoung Joon

    Using first-principles calculations, we investigate the atomic and electronic structures of 2H-phase transition-metal dichalcogenides (TMDC), 2H-MX2, with and without defects, where M is Mo or W and X is S, Se or Te. We find that doping of atomic hydrogen on 2H-MX2 induces electron doping in the conduction band. To understand the mechanism of this electron doping, we analyze the electronic structures with and without impurities. We also calculate the diffusion energy barrier to discuss the spatial stability of the doping. Based on these results, we suggest a possible way to fabricate elaborately-patterned circuits by modulating the carrier type of 2H-MoTe2. We also discuss possible applications of this doping in designing nano-devices. This work was supported by NRF of Korea (Grant No. 2011-0018306) and KISTI supercomputing center (Project No. KSC-2016-C3-0052).

  15. Temperature dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La1-xSrxMnO3

    International Nuclear Information System (INIS)

    Arenholz, Elke; Mannella, N.; Booth, C.H.; Rosenhahn, A.; Sell, B.C.; Nambu, A.; Marchesini, S.; Mun, B. S.; Yang, S.-H.; Watanabe, M.; Ibrahim, K.; Arenholz, E.; Young, A.; Guo, J.; Tomioka, Y.; Fadley, C.S.

    2007-01-01

    We have studied the temperature-dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La 1-x Sr x MnO 3 (x= 0.3-0.4) with core and valence level photoemission (PE), x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES), resonant inelastic x-ray scattering (RIXS), extended x-ray absorption fine structure (EXAFS) spectroscopy and magnetometry. As the temperature is varied across the Curie temperature T c , our PE experiments reveal a dramatic change of the electronic structure involving an increase in the Mn spin moment from ∼ 3 (micro)B to ∼ 4 (micro)B, and a modification of the local chemical environment of the other constituent atoms indicative of electron localization on the Mn atom. These effects are reversible and exhibit a slow-timescale ∼200 K-wide hysteresis centered at T c . Based upon the probing depths accessed in our PE measurements, these effects seem to survive for at least 35-50 (angstrom) inward from the surface, while other consistent signatures for this modification of the electronic structure are revealed by more bulk sensitive spectroscopies like XAS and XES/RIXS. We interpret these effects as spectroscopic fingerprints for polaron formation, consistent with the presence of local Jahn-Teller distortions of the MnO 6 octahedra around the Mn atom, as revealed by the EXAFS data. Magnetic susceptibility measurements in addition show typical signatures of ferro-magnetic clusters formation well above the Curie temperature

  16. Piezoresistivity in films of nanocrystalline manganites.

    Science.gov (United States)

    Sarkar, Jayanta; Raychaudhuri, A K

    2007-06-01

    Rare earth manganites having perovskite structure are susceptible to lattice strain. So far most investigations have been done with hydrostatic pressure or biaxial strain. We have observed that hole doped rare-earth manganites, which are known to display colossal magnetoresistance (CMR) also show change in its resistance under the influence of uniaxial strain. We report the direct measurement of piezoresistive response of La0.67Ca0.33MnO3 (LCMO) and La0.67Sr0.33MnO3 (LSMO) of this manganite family. The measurements were carried out on nanostructured polycrystalline films of LCMO and LSMO grown on oxidized Si(100) substrates. The piezoresistance was measured by bending the Si cantilevers (on which the film is grown) in flexural mode both with compressive and tensile strain. At room temperature the gauge factor approximately 10-20 and it increases to a large value near metal-insulator transition temperature (Tp) where the resistivity shows a peak.

  17. Effect of Cd doping on magnetocaloric effect and critical behavior analysis on perovskite Nd1-xCdxMnO3 (x = 0, 0.1, 0.2, 0.3, and 0.4) manganite polycrystals

    Science.gov (United States)

    Saravanan, C.; Thiyagarajan, R.; Manikandan, K.; Sathiskumar, M.; Kanjariya, P. V.; Bhalodia, J. A.; Arumugam, S.

    2017-12-01

    We report the doping effect of divalent cation Cd2+ at Nd-site of intermediate bandwidth manganite system NdMnO3 through the temperature- and magnetic field-dependent magnetization measurements. The parent compound shows paramagnetic-antiferromagnetic transition at 56 K, whereas Cd doped samples show the paramagnetic-ferromagnetic transition with fluctuating TC. During this transition, Nd1-xCdxMnO3 (x = 0.1 and 0.2) samples exhibit first order nature, whereas Nd1-xCdxMnO3 (x = 0.3 and 0.4) samples exhibit second order nature. It confirms a crossover from first order transition to second order transition while x = 0.2 to x = 0.3. By having first order transition, x = 0.2 sample exhibits high magnetic entropy change of 3.62 J kg-1 K-1 for the magnetic field change of 5 T out of all compositions. By having second order transitions, x = 0.4 sample exhibits a high relative cooling power of 319.71 J kg-1 for the magnetic field change of 5 T out of all the compositions. The critical behavior of second order transition of x = 0.3 and 0.4 samples has been analyzed using Arrott and Kouvel-Fisher plots. The estimated critical exponents of these samples are nearly matched with the mean free model, which can be explained by the existence of dipole-dipole interaction by the Cd doping which strengthens long range ferromagnetic interactions between the spins.

  18. Study of the Durability of Doped Lanthanum Manganite and Cobaltite Cathode Materials under ''Real World'' Air Exposure Atmospheres

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Prabhakar [Univ. of Connecticut, Storrs, CT (United States); Mahapatra, Manoj [Univ. of Connecticut, Storrs, CT (United States); Ramprasad, Rampi [Univ. of Connecticut, Storrs, CT (United States); Minh, Nguyen [Univ. of California, San Diego, CA (United States); Misture, Scott [Alfred Univ., NY (United States)

    2014-11-30

    The overall objective of the program is to develop and validate mechanisms responsible for the overall structural and chemical degradation of lanthanum manganite as well as lanthanum ferrite cobaltite based cathode when exposed to “real world” air atmosphere exposure conditions during SOFC systems operation. Of particular interest are the evaluation and analysis of degradation phenomena related to and responsible for (a) products formation and interactions with air contaminants, (b) dopant segregation and oxide exolution at free surfaces, (c) cation interdiffusion and reaction products formation at the buried interfaces, (d) interface morphology changes, lattice transformation and the development of interfacial porosity and (e) micro-cracking and delamination from the stack repeat units. Reaction processes have been studied using electrochemical and high temperature materials compatibility tests followed by structural and chemical characterization. Degradation hypothesis has been proposed and validated through further experimentation and computational simulation.

  19. Giant tunnel-electron injection in nitrogen-doped graphene

    DEFF Research Database (Denmark)

    Lagoute, Jerome; Joucken, Frederic; Repain, Vincent

    2015-01-01

    Scanning tunneling microscopy experiments have been performed to measure the local electron injection in nitrogen-doped graphene on SiC(000) and were successfully compared to ab initio calculations. In graphene, a gaplike feature is measured around the Fermi level due to a phonon-mediated tunneling...... and at carbon sites. Nitrogen doping can therefore be proposed as a way to improve tunnel-electron injection in graphene....

  20. Doping dependence of charge order in electron-doped cuprate superconductors

    Science.gov (United States)

    Mou, Yingping; Feng, Shiping

    2017-12-01

    In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped cuprate superconductors is investigated based on the t-J model. The experimentally observed momentum dependence of the electron quasiparticle scattering rate is qualitatively reproduced, where the scattering rate is highly anisotropic in momentum space, and is intriguingly related to the charge-order gap. Although the scattering strength appears to be weakest at the hot spots, the scattering in the antinodal region is stronger than that in the nodal region, which leads to the original electron Fermi surface is broken up into the Fermi pockets and their coexistence with the Fermi arcs located around the nodal region. In particular, this electron Fermi surface instability drives the charge-order correlation, with the charge-order wave vector that matches well with the wave vector connecting the hot spots, as the charge-order correlation in the hole-doped counterparts. However, in a striking contrast to the hole-doped case, the charge-order wave vector in the electron-doped side increases in magnitude with the electron doping. The theory also shows the existence of a quantitative link between the single-electron fermiology and the collective response of the electron density.

  1. Electronic conduction in doped multiferroic BiFeO3

    Science.gov (United States)

    Yang, Chan-Ho; Seidel, Jan; Kim, Sang-Yong; Gajek, M.; Yu, P.; Holcomb, M. B.; Martin, L. W.; Ramesh, R.; Chu, Y. H.

    2009-03-01

    Competition between multiple ground states, that are energetically similar, plays a key role in many interesting material properties and physical phenomena as for example in high-Tc superconductors (electron kinetic energy vs. electron-electron repulsion), colossal magnetoresistance (metallic state vs. charge ordered insulating state), and magnetically frustrated systems (spin-spin interactions). We are exploring the idea of similar competing phenomena in doped multiferroics by control of band-filling. In this paper we present systematic investigations of divalent Ca doping of ferroelectric BiFeO3 in terms of structural and electronic conduction properties as well as diffusion properties of oxygen vacancies.

  2. Effect of doping on the electron transport in polyfluorene

    Energy Technology Data Exchange (ETDEWEB)

    Bajpai, Manisha, E-mail: mansa83@gmail.com [Soft Materials Research Laboratory, Centre of Material Sciences, Institute of Interdisciplinary Studies, University of Allahabad, Allahabad, 211002 (India); Department of Physics, Banaras Hindu University, Varanasi-221005 (India); Srivastava, Ritu [Physics for Energy Harvesting Division, National Physical Laboratory (Council of Scientific and Industrial Research), Dr K. S. Krishnan Road, New Delhi 110012 (India); Dhar, Ravindra [Soft Materials Research Laboratory, Centre of Material Sciences, Institute of Interdisciplinary Studies, University of Allahabad, Allahabad, 211002 (India); Tiwari, R. S. [Department of Physics, Banaras Hindu University, Varanasi-221005 (India)

    2016-05-06

    In this paper, electron transport of pure and DMC doped polyfluorne (PF) films have been studied at various doping concentrations. Pure films show space charge limited conduction with field and temperature dependent mobility. The J–V characteristics of doped PF were ohmic at low voltages due to thermally released carriers from dopant states. At higher voltages the current density increases nonlinearly due to field dependent mobility and carrier concentration thereby filling of tail states of HOMO of the host. The conductivity of doped films were analyzed using the Unified Gaussian Disorder Model (UGDM). The carrier concentration obtained from the fitting show a non-linear dependence on doping concentration which may be due to a combined effect of thermally activated carrier generation and increased carrier mobility.

  3. Self-limited kinetics of electron doping in correlated oxides

    International Nuclear Information System (INIS)

    Chen, Jikun; Zhou, You; Jiang, Jun; Shi, Jian; Ramanathan, Shriram; Middey, Srimanta; Chakhalian, Jak; Chen, Nuofu; Chen, Lidong; Shi, Xun; Döbeli, Max

    2015-01-01

    Electron doping by hydrogenation can reversibly modify the electrical properties of complex oxides. We show that in order to realize large, fast, and reversible response to hydrogen, it is important to consider both the electron configuration on the transition metal 3d orbitals, as well as the thermodynamic stability in nickelates. Specifically, large doping-induced resistivity modulations ranging several orders of magnitude change are only observed for rare earth nickelates with small ionic radii on the A-site, in which case both electron correlation effects and the meta-stability of Ni 3+ are important considerations. Charge doping via metastable incorporation of ionic dopants is of relevance to correlated oxide-based devices where advancing approaches to modify the ground state electronic properties is an important problem

  4. Reentrant metal-insulator transition in the Cu-doped manganites La1-x Pbx MnO3 (x˜0.14) single crystals

    Science.gov (United States)

    Zhao, B. C.; Song, W. H.; Ma, Y. Q.; Ang, R.; Zhang, S. B.; Sun, Y. P.

    2005-10-01

    Single crystals of La1-x Pbx Mn1-y-z Cuy O3 ( x˜0.14 ; y=0 ,0.01,0.02,0.04,0.06; z=0.02 ,0.08,0.11,0.17,0.20) are grown by the flux growth technique. The effect of Cu doping at the Mn-site on magnetic and transport properties is studied. All studied samples undergo a paramagnetic-ferromagnetic transition. The Curie temperature TC decreases and the transition becomes broader with increasing Cu-doping level. The high-temperature insulator-metal (I-M) transition moves to lower temperature with increasing Cu-doping level. A reentrant M-I transition at the low temperature T* is observed for samples with y⩾0.02 . In addition, T* increases with increasing Cu-doping level and is not affected by applied magnetic fields. Accompanying the appearance of T* , there exists a large, almost constant magnetoresistance (MR) below T* except for a large MR peak near TC . This reentrant M-I transition is ascribed to charge carrier localization due to lattice distortion caused by the Cu doping at Mn sites.

  5. Effect of quenched disorder on charge-orbital-spin ordering in single-layer manganites

    International Nuclear Information System (INIS)

    Uchida, Masaya; Mathieu, Roland; He, Jinping; Kaneko, Yoshio; Tokura, Yoshinori; Asamitsu, Atsushi; Kumai, Reiji; Tomioka, Yasuhide; Matsui, Yoshio

    2006-01-01

    Structural and magnetic properties have been investigated for half-doped single-layer manganites RE 0.5 Sr 1.5 MnO 4 [RE=La, (La, Pr), Pr, Nd, Sm, and Eu]. Analyses of electron diffraction and ac susceptibility measurements have revealed that the long-range charge-orbital ordering (CO-OO) state as observed in La 0.5 Sr 1.5 MnO 4 is suppressed for the other materials: the CO-OO transition temperature, as well as the correlation length decreases with a decrease in the cation size of RE. Such a short-range CO-OO state shows a spin-glass behavior at low temperatures. A new electronic phase diagram is established with quenched disorder as the control parameter. (author)

  6. Microscopic theory of longitudinal sound velocity in charge ordered manganites

    International Nuclear Information System (INIS)

    Rout, G C; Panda, S

    2009-01-01

    A microscopic theory of longitudinal sound velocity in a manganite system is reported here. The manganite system is described by a model Hamiltonian consisting of charge density wave (CDW) interaction in the e g band, an exchange interaction between spins of the itinerant e g band electrons and the core t 2g electrons, and the Heisenberg interaction of the core level spins. The magnetization and the CDW order parameters are considered within mean-field approximations. The phonon Green's function was calculated by Zubarev's technique and hence the longitudinal velocity of sound was finally calculated for the manganite system. The results show that the elastic spring involved in the velocity of sound exhibits strong stiffening in the CDW phase with a decrease in temperature as observed in experiments.

  7. Microscopic theory of longitudinal sound velocity in charge ordered manganites

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G C [Condensed Matter Physics Group, PG Department of Applied Physics and Ballistics, FM University, Balasore 756 019 (India); Panda, S, E-mail: gcr@iopb.res.i [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India)

    2009-10-14

    A microscopic theory of longitudinal sound velocity in a manganite system is reported here. The manganite system is described by a model Hamiltonian consisting of charge density wave (CDW) interaction in the e{sub g} band, an exchange interaction between spins of the itinerant e{sub g} band electrons and the core t{sub 2g} electrons, and the Heisenberg interaction of the core level spins. The magnetization and the CDW order parameters are considered within mean-field approximations. The phonon Green's function was calculated by Zubarev's technique and hence the longitudinal velocity of sound was finally calculated for the manganite system. The results show that the elastic spring involved in the velocity of sound exhibits strong stiffening in the CDW phase with a decrease in temperature as observed in experiments.

  8. Substitutionally doped phosphorene: electronic properties and gas sensing.

    Science.gov (United States)

    Suvansinpan, Nawat; Hussain, Fayyaz; Zhang, Gang; Chiu, Cheng Hsin; Cai, Yongqing; Zhang, Yong-Wei

    2016-02-12

    Phosphorene, a new elemental two-dimensional material, has attracted increasing attention owing to its intriguing electronic properties. In particular, pristine phospohorene, due to its ultrahigh surface-volume ratio and high chemical activity, has been shown to be promising for gas sensing (Abbas et al 2015 ACS Nano 9 5618). To further enhance its sensing ability, we perform first-principles calculations based on density functional theory to study substitutionally doped phosphorene with 17 different atoms, focusing on structures, energetics, electronic properties and gas sensing. Our calculations reveal that anionic X (X = O, C and S) dopants have a large binding energy and highly dispersive electronic states, signifying the formation of covalent X-P bonds and thus strong structural stability. Alkali atom (Li and Na) doping is found to donate most of the electrons in the outer s-orbital by forming ionic bonds with P, and the band gap decreases by pushing down the conduction band, suggesting that the optical and electronic properties of the doped phosphorene can be tailored. For doping with VIIIB-group (Fe, Co and Ni) elements, a strong affinity is predicted and the binding energy and charge transfer are correlated strongly with their electronegativity. By examining NO molecule adsorption, we find that these metal doped phosphorenes (MDPs) in general exhibit a significantly enhanced chemical activity compared with pristine phosphorene. Our study suggests that substitutionally doped phosphorene shows many intriguing electronic and optic properties different from pristine phosphorene and MDPs are promising in chemical applications involving molecular adsorption and desorption processes, such as materials growth, catalysis, gas sensing and storage.

  9. Electron field emission from boron doped microcrystalline diamond

    International Nuclear Information System (INIS)

    Roos, M.; Baranauskas, V.; Fontana, M.; Ceragioli, H.J.; Peterlevitz, A.C.; Mallik, K.; Degasperi, F.T.

    2007-01-01

    Field emission properties of hot filament chemical vapor deposited boron doped polycrystalline diamond have been studied. Doping level (N B ) of different samples has been varied by the B/C concentration in the gas feed during the growth process and doping saturation has been observed for high B/C ratios. Threshold field (E th ) for electron emission as function of B/C concentration has been measured, and the influences of grain boundaries, doping level and surface morphology on field emission properties have been investigated. Carrier transport through conductive grains and local emission properties of surface sites have been figured out to be two independent limiting effects in respect of field emission. Emitter current densities of 500 nA cm -2 were obtained using electric fields less than 8 V/μm

  10. Electron trap annealing in neutron transmutation doped silicon

    DEFF Research Database (Denmark)

    Guldberg, J.

    1977-01-01

    Silicon doped by neutron transmutation to 1.2×1014 phosphorus atoms/cm3 was investigated with deep level transient spectroscopy using evaporated Au/n-Si diodes. Seven bulk electron traps were identified which appear after 30 min N2 anneal at temperatures between 425 and 725 °C. Five of these anne......Silicon doped by neutron transmutation to 1.2×1014 phosphorus atoms/cm3 was investigated with deep level transient spectroscopy using evaporated Au/n-Si diodes. Seven bulk electron traps were identified which appear after 30 min N2 anneal at temperatures between 425 and 725 °C. Five...

  11. Neutron scattering studies on magnetic excitations in complex ordered manganites

    Energy Technology Data Exchange (ETDEWEB)

    Senff, D

    2007-09-15

    This thesis deals with magnetic excitations in three different Manganese oxides, single-layered LaSrMnO{sub 4}, charge- and orbital-ordered La{sub 1/2}Sr{sub 3/2}MnO{sub 4}, and multiferroic TbMnO{sub 3}, which are studied by means of inelastic neutron scattering. The properties of the first system, LaSrMnO{sub 4}, are governed by the complex interplay of orbital, spin, and lattice degrees of freedom typical for the physics of manganites. The magnetic low-temperature behavior is quite unusual, and the comprehensive analysis of the spin-wave spectrum of LaSrMnO{sub 4} suggests a heterogenous ground state with ferromagnetic orbital polarons embedded in an antiferromagnetic background. The doped system La{sub 1/2}Sr{sub 3/2}MnO{sub 4} exhibits a stable charge- and orbital-ordered state, which today is discussed very controversially, as it is of great relevance for the colossal increase of electric conductivity at the metal-insulator transition in perovskite manganites. Analyzing the spin-wave dispersion of the ordered state, we find an excellent agreement with classical predictions by Goodenough and reject a recent alternative proposal. The different strength of the ferromagnetic and antiferromagnetic exchange in the CE-type ordering leads to the conclusion that the magnetic state has to be considered as a weak AFM coupling of stable FM elements. This thesis is further supported by the thermal evolution of the ordered state, revealing anisotropic correlations and the close competition of FM and AFM correlations above the Neel transition, as well as by the doping dependence of the charge- and orbital-ordered state, which is interpreted on the basis of a different response of the magnetic system with respect to additional electrons or holes. In the orthorhombic perovskite TbMnO{sub 3} the electric polarization is closely coupled to the magnetic degrees of freedom via a complex, non-collinear magnetic ordering. Precisely characterizing the different magnon excitations

  12. Neutron scattering studies on magnetic excitations in complex ordered manganites

    International Nuclear Information System (INIS)

    Senff, D.

    2007-09-01

    This thesis deals with magnetic excitations in three different Manganese oxides, single-layered LaSrMnO 4 , charge- and orbital-ordered La 1/2 Sr 3/2 MnO 4 , and multiferroic TbMnO 3 , which are studied by means of inelastic neutron scattering. The properties of the first system, LaSrMnO 4 , are governed by the complex interplay of orbital, spin, and lattice degrees of freedom typical for the physics of manganites. The magnetic low-temperature behavior is quite unusual, and the comprehensive analysis of the spin-wave spectrum of LaSrMnO 4 suggests a heterogenous ground state with ferromagnetic orbital polarons embedded in an antiferromagnetic background. The doped system La 1/2 Sr 3/2 MnO 4 exhibits a stable charge- and orbital-ordered state, which today is discussed very controversially, as it is of great relevance for the colossal increase of electric conductivity at the metal-insulator transition in perovskite manganites. Analyzing the spin-wave dispersion of the ordered state, we find an excellent agreement with classical predictions by Goodenough and reject a recent alternative proposal. The different strength of the ferromagnetic and antiferromagnetic exchange in the CE-type ordering leads to the conclusion that the magnetic state has to be considered as a weak AFM coupling of stable FM elements. This thesis is further supported by the thermal evolution of the ordered state, revealing anisotropic correlations and the close competition of FM and AFM correlations above the Neel transition, as well as by the doping dependence of the charge- and orbital-ordered state, which is interpreted on the basis of a different response of the magnetic system with respect to additional electrons or holes. In the orthorhombic perovskite TbMnO 3 the electric polarization is closely coupled to the magnetic degrees of freedom via a complex, non-collinear magnetic ordering. Precisely characterizing the different magnon excitations allows to identify all relevant modes of the

  13. Intrinsic and extrinsic magnetic properties of the naturally layered manganites

    International Nuclear Information System (INIS)

    Berger, A.; Mitchell, J. F.; Miller, D. J.; Jiang, J. S.; Bader, S. D.

    1999-01-01

    Structural and magnetic properties of the two-layered Ruddlesden-Popper phase SrO(La 1-x Sr x MnO 3 ) 2 with x = 0.3--0.5 are highlighted. Intrinsic properties of these naturally layered manganites include a colossal magnetoresistance, a composition-dependent magnetic anisotropy, and almost no remanence. Above the Curie temperature there is a non-vanishing extrinsic magnetization attributed to intergrowths (stacking faults in the layered structure). These lattice imperfections consist of additional or missing manganite layers, as observed in transmission electron microscopy. Their role in influencing the properties of the host material is highlighted

  14. Electronic Conductivity of Doped-Lanthanum Gallate Electrolytes

    Science.gov (United States)

    Yamaji, Katsuhiko; Xiong, Yue Ping; Kishimoto, Haruo; Horita, Teruhisa; Sakai, Natsuko; Brito, Manuel E.; Yokokawa, Harumi

    Electronic conductivity of doped lanthanum gallate electrolytes were determined by using a Hebb-Wagner type polarization cell. Electronic conductivity of cobalt-doped, La0.8Sr0.2Ga0.8Mg0.15Co0.5O3-δ (LSGMC), and non cobalt-doped, La0.8Sr0.2Ga0.8Mg0.2O2.8 (LSGM8282), were measured as a function of oxygen partial pressures. The electronic conductivity of LSGM8282 showed a linear dependence on p(O2)1/4 in the higher p(O2) region, which is attributed to the electronic hole conductivity. The electronic conductivity of LSGMC showed a linear dependence on p(O2)1/6 in the higher p(O2) region. LSGMC has higher electronic conductivity than LSGM, and the conductivity was not clearly changed with temperatures between 600 and 800 °C. In lower p(O2) region, the electronic conductivity data have poor reproducibility and did not show any dependence on p(O2) because of the degradation of the electrolytes in severe reducing atmospheres.

  15. Magnetic properties of electron-doped La0.23Ca0.77MnO3 nanoparticles

    Science.gov (United States)

    Markovich, V.; Jung, G.; Wisniewski, A.; Mogilyansky, D.; Puzniak, R.; Kohn, A.; Wu, X. D.; Suzuki, K.; Gorodetsky, G.

    2012-09-01

    Magnetic properties of electron-doped La0.23Ca0.77MnO3 manganite nanoparticles, with average size of 12 and 60 nm, prepared by the glycine-nitrate method, have been investigated in the temperature range 5-300 K and magnetic fields up to 90 kOe. It is suggested that weak ferromagnetic moment results from ferromagnetic shells of the basically antiferromagnetic nanoparticles and from domains of frustrated disordered phase in the core. Assumption of two distinct sources of ferromagnetism is supported by the appearance of two independent ferromagnetic contributions in the fit of the T 3/2 Bloch law to spontaneous magnetization. The ferromagnetic components, which are more pronounced in smaller particles, occupy only a small fraction of the nanoparticle volume and the antiferromagnetic ground state remains stable. It is found that the magnetic hysteresis loops following field cooled processes, display size-dependent horizontal and vertical shifts, namely, exhibiting exchange bias effect. Time-dependent magnetization dynamics demonstrating two relaxation rates were observed at constant magnetic fields upon cooling to T K.

  16. Dynamic conductivity from audio to optical frequencies of semiconducting manganites approaching the metal-insulator transition

    Science.gov (United States)

    Lunkenheimer, P.; Mayr, F.; Loidl, A.

    2006-07-01

    We report the frequency-dependent conductivity of the manganite system La1-xSrxMnO3 (x0.2) when approaching the metal-insulator transition from the insulating side. Results from low-frequency dielectric measurements are combined with spectra in the infrared region. For low doping levels the behavior is dominated by hopping transport of localized charge carriers at low frequencies and by phononic and electronic excitations in the infrared region. For the higher Sr contents the approach of the metallic state is accompanied by the successive suppression of the hopping contribution at low frequencies and by the development of polaronic excitations in the infrared region, which finally become superimposed by a strong Drude contribution in the fully metallic state.

  17. Dynamic conductivity from audio to optical frequencies of semiconducting manganites approaching the metal-insulator transition

    International Nuclear Information System (INIS)

    Lunkenheimer, P.; Mayr, F.; Loidl, A.

    2006-01-01

    We report the frequency-dependent conductivity of the manganite system La 1-x Sr x MnO 3 (x≤0.2) when approaching the metal-insulator transition from the insulating side. Results from low-frequency dielectric measurements are combined with spectra in the infrared region. For low doping levels the behavior is dominated by hopping transport of localized charge carriers at low frequencies and by phononic and electronic excitations in the infrared region. For the higher Sr contents the approach of the metallic state is accompanied by the successive suppression of the hopping contribution at low frequencies and by the development of polaronic excitations in the infrared region, which finally become superimposed by a strong Drude contribution in the fully metallic state. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  18. Comparative study on the roles of anisotropic epitaxial strain and chemical doping in inducing the antiferromagnetic insulator phase in manganite films

    Science.gov (United States)

    Jin, Feng; Feng, Qiyuan; Guo, Zhuang; Lan, Da; Wang, Lingfei; Gao, Guanyin; Xu, Haoran; Chen, Binbin; Chen, Feng; Lu, Qingyou; Wu, Wenbin

    2017-11-01

    Epitaxial strain and chemical doping are two different methods that are commonly used to tune the physical properties of epitaxial perovskite oxide films, but their cooperative effects are less addressed. Here we try to tune the phase separation (PS) in (La1-xP rx) 2 /3C a1 /3Mn O3 (0 ≤x ≤0.4 , LPCMO) films via cooperatively controlling the anisotropic epitaxial strain (AES) and the Pr doping. These films are grown simultaneously on NdGa O3(110 ) ,(LaAlO3) 0.3(SrAl0.5Ta0.5O3 ) 0.7(001 ) , and NdGa O3(001 ) substrates with progressively increased in-plane AES, and probed by x-ray diffraction, magnetotransport, and magnetic force microscopy (MFM) measurements. Although it is known that for x =0 the AES can enhance the orthorhombicity of the films yielding a phase diagram with the antiferromagnetic charge-ordered insulator (AF-COI) state induced, which is quite different from the bulk one, we illustrate that the Pr doping can further drive the films towards a more robust COI state. This cooperative effect is reflected by the increasing magnetic fields needed to melt the COI phase as a function of AES and the doping level. More strikingly, by directly imaging the phase competition morphology of the LPCMO /NdGa O3(001 ) films via MFM, we find that during COI melting the PS domain structure is subject to both AES and the quenched disorder. However, in the reverse process, as the magnetic field is decreased, the COI phase reappears and the AES dominates leaving a crystalline-orientation determined self-organized microstructure. This finding suggests that the PS states and the domain configurations can be selectively controlled by the AES and/or the quenched disorder, which may shed some light on the engineering of PS domains for device fabrications.

  19. Experimental investigation of temperature dependence of the magnetic susceptibility (T) of manganites La1-xAxMnO3

    International Nuclear Information System (INIS)

    Salakhitdinova, M.; Kuvandikov, O.; Shakarov, Kh.; Shodiev, Z.

    2007-01-01

    Full text: he interest to lanthanoid manganites is based that enormous magnetoresistance is found in them and this materials are capable to test diverse structural and magnetic phase transformations. The work is devoted to experimental investigation of temperature dependence of the magnetic susceptibility (T) of manganites La 1-x A x MnO 3 which doped with Ag, K, Sr metals in wide temperature interval 50-8500 C, as well as to determination of their magnetic characteristics from this dependence. The dependence (T) was measured by the Faraday method with high-temperature magnetic pendulum balance in the atmosphere of refined helium. Maximal relative error of the measurements did not exceed 3 %. The analysis of experimental (T) dependence of investigated manganites has shown that the rise of stoichiometric rate of doped metals the temperature dependence of magnetic susceptibility of manganites monotonously is decreased. (authors)

  20. Stability of the antiferromagnetic state in the electron doped iridates

    Science.gov (United States)

    Bhowal, Sayantika; Moradi Kurdestany, Jamshid; Satpathy, Sashi

    2018-06-01

    Iridates such as Sr2IrO4 are of considerable interest owing to the formation of the Mott insulating state driven by a large spin–orbit coupling. However, in contrast to the expectation from the Nagaoka theorem that a single doped hole or electron destroys the anti-ferromagnetic (AFM) state of the half-filled Hubbard model in the large U limit, the anti-ferromagnetism persists in the doped Iridates for a large dopant concentration beyond half-filling. With a tight-binding description of the relevant states by the third-neighbor (t 1, t 2, t 3, U) Hubbard model on the square lattice, we examine the stability of the AFM state to the formation of a spin spiral state in the strong coupling limit. The third-neighbor interaction t 3 is important for the description of the Fermi surface of the electron doped system. A phase diagram in the parameter space is obtained for the regions of stability of the AFM state. Our results qualitatively explain the robustness of the AFM state in the electron doped iridate (such as Sr2‑x La x IrO4), observed in many experiments, where the AFM state continues to be stable until a critical dopant concentration.

  1. Electron Paramagnetic Resonance and X-ray Diffraction of Boron- and Phosphorus-Doped Nanodiamonds

    Science.gov (United States)

    Binh, Nguyen Thi Thanh; Dolmatov, V. Yu.; Lapchuk, N. M.; Shymanski, V. I.

    2017-11-01

    Powders of boron- and phosphorus-doped detonation nanodiamonds and sintered pellets of non-doped nanodiamond powders were studied using electron paramagnetic resonance and x-ray diffraction. Doping of detonation nanodiamond crystals with boron and phosphorus was demonstrated to be possible. These methods could be used to diagnose diamond nanocrystals doped during shock-wave synthesis.

  2. Doping Phosphorene with Holes and Electrons through Molecular Charge Transfer.

    Science.gov (United States)

    Vishnoi, Pratap; Rajesh, S; Manjunatha, S; Bandyopadhyay, Arkamita; Barua, Manaswee; Pati, Swapan K; Rao, C N R

    2017-11-03

    An important aspect of phosphorene, the novel two-dimensional semiconductor, is whether holes and electrons can both be doped in this material. Some reports found that only electrons can be preferentially doped into phosphorene. There are some theoretical calculations showing charge-transfer interaction with both tetrathiafulvalene (TTF) and tetracyanoethylene (TCNE). We have carried out an investigation of chemical doping of phosphorene by a variety of electron donor and acceptor molecules, employing both experiment and theory, Raman scattering being a crucial aspect of the study. We find that both electron acceptors and donors interact with phosphorene by charge-transfer, with the acceptors having more marked effects. All the three Raman bands of phosphorene soften and exhibit band broadening on interaction with both donor and acceptor molecules. First-principles calculations establish the occurrence of charge-transfer between phosphorene with donors as well as acceptors. The absence of electron-hole asymmetry is noteworthy. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Optical and magneto-optical properties of the electron-doped and hole-doped C{sub 82} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Rostampour, E., E-mail: el_rostampour@yahoo.com [Plasma Physics Research Center, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Koohi, A. [Plasma Physics and Nuclear Fusion Research School, Nuclear Science and Technology Research Institute, AEOI, Tehran (Iran, Islamic Republic of)

    2015-01-15

    The optical and magnetic properties of the doped C{sub 82} crystal have been investigated by Su–Schrieffer–Heeger (SSH) model, which is based on the Ewald method. When the C{sub 82} molecule is doped with one electron (or hole), a single electron is remained in the energy level that affects the optical and magnetic properties of the C{sub 82} crystal. The lattice and electronic structures of C{sub 82} changed with doping electron (or hole) in the molecule of C{sub 82}. Therefore, polarons are predicted in doped fullerenes. The obtained results showed that the dielectric tensor of the C{sub 82} crystal increased with doping electron (or hole) in the molecule of C{sub 82}. The spectral shapes of the dielectric tensor, circular dichroism and birefringence coefficient of the C{sub 82} crystal turn out to be determined mainly by the geometrical distributions of the pentagons in the fullerene structures.

  4. Spin-coupled charge dynamics in layered manganite crystals

    CERN Document Server

    Tokura, Y; Ishikawa, T

    1998-01-01

    Anisotropic charge dynamics has been investigated for single crystals of layered manganites, La sub 2 sub - sub 2 sub x Sr sub 1 sub + sub 2 sub x Mn sub 2 O sub 7 (0.3<=X<=0.5). Remarkable variations in the magnetic structure and in the charge-transport properties are observed by changing the doping level x . A crystal with x = 0.3 behaves like a 2-dimensional ferromagnetic metal in the temperature region between approx 90 K and approx 270 K and shows an interplane tunneling magnetoresistance at lower temperatures which is sensitive to the interplane magnetic coupling between the adjacent MnO sub 2 bilayers. Optical probing of these layered manganites has also clarified the highly anisotropic and incoherent charge dynamics.

  5. Anomalous electron doping independent two-dimensional superconductivity

    Science.gov (United States)

    Zhou, Wei; Xing, Xiangzhuo; Zhao, Haijun; Feng, Jiajia; Pan, Yongqiang; Zhou, Nan; Zhang, Yufeng; Qian, Bin; Shi, Zhixiang

    2017-07-01

    Transition metal (Co and Ni) co-doping effects are investigated on an underdoped Ca0.94La0.06Fe2As2 compound. It is discovered that electron doping from substituting Fe with transition metal (TM = Co, Ni) can trigger high-{T}{{c}} superconductivity around 35 K, which emerges abruptly before the total suppression of the innate spin-density-wave/anti-ferromagnetism (SDW/AFM) state. Remarkably, the critical temperature for the high-{T}{{c}} superconductivity remains constant against a wide range of TM doping levels. And the net electron doping density dependence of the superconducting {T}{{c}} based on the rigid band model can be nicely scaled into a single curve for Co and Ni substitutions, in stark contrast to the case of Ba(Fe1-x TM x )2As2. This carrier density independent superconductivity and the unusual scaling behavior are presumably resulted from the interface superconductivity based on the similarity with the interface superconductivity in a La2-x Sr x CuO4-La2CuO4 bilayer. Evidence of the two-dimensional character of the superfluid by angle-resolved magneto-resistance measurements can further strengthen the interface nature of the high-{T}{{c}} superconductivity.

  6. Bosonic excitations and electron pairing in an electron-doped cuprate superconductor

    Science.gov (United States)

    Wang, M. C.; Yu, H. S.; Xiong, J.; Yang, Y.-F.; Luo, S. N.; Jin, K.; Qi, J.

    2018-04-01

    By applying ultrafast optical spectroscopy to electron-doped La1.9Ce0.1CuO4 ±δ , we discern a bosonic mode of electronic origin and provide the evolution of its coupling with the charge carriers as a function of temperature. Our results show that it has the strongest coupling strength near Tc and can fully account for the superconducting pairing. This mode can be associated with the two-dimensional antiferromagnetic spin correlations emerging below a critical temperature T† larger than Tc. Our work may help to establish a quantitative relation between bosonic excitations and superconducting pairing in electron-doped cuprates.

  7. Superfluid phase stiffness in electron doped superconducting Gd-123

    Science.gov (United States)

    Das, P.; Ghosh, Ajay Kumar

    2018-05-01

    Current-voltage characteristics of Ce substituted Gd-123 superconductor exhibits nonlinearity below a certain temperature below the critical temperature. An exponent is extracted using the nonlinearity of current-voltage relation. Superfluid phase stiffness has been studied as a function of temperature following the Ambegaokar-Halperin-Nelson-Siggia (AHNS) theory. Phase stiffness of the superfluid below the superconducting transition is found to be sensitive to the change in the carrier concentration in superconducting system. There may be a crucial electron density which affects superfluid stiffness strongly. Electron doping is found to be effective even if the coupling of the superconducting planes is changed.

  8. Dynamical spin susceptibility of electron-doped high-Tc cuprates. Comparison with hole-doped systems

    International Nuclear Information System (INIS)

    Suzuki, Atsuo; Mutou, Tetsuya; Tanaka, Syunsuke; Hirashima, Dai S.

    2010-01-01

    The magnetic excitation spectrum of electron-doped copper oxide superconductors is studied by calculating the dynamical spin susceptibility of the two-dimensional Hubbard model in which a d x2-y2 -wave superconducting order parameter is assumed. The spectrum of electron-doped systems is compared with that of hole-doped systems, and the relationship between the frequency at which a peak grows in the spectrum and the superconducting energy gap at a hot spot is investigated. A peak may be observed even when the magnetic resonance condition is not exactly satisfied. We find that, in the electron-doped systems, the resonance condition is less likely to be satisfied than in the hole-doped systems because of the small density of states around the hot spots, and the peak frequency is close to twice the gap magnitude at the hot spots. (author)

  9. Theory of strain-controlled magnetotransport and stabilization of the ferromagnetic insulating phase in manganite thin films.

    Science.gov (United States)

    Mukherjee, Anamitra; Cole, William S; Woodward, Patrick; Randeria, Mohit; Trivedi, Nandini

    2013-04-12

    We show that applying strain on half-doped manganites makes it possible to tune the system to the proximity of a metal-insulator transition and thereby generate a colossal magnetoresistance (CMR) response. This phase competition not only allows control of CMR in ferromagnetic metallic manganites but can be used to generate CMR response in otherwise robust insulators at half-doping. Further, from our realistic microscopic model of strain and magnetotransport calculations within the Kubo formalism, we demonstrate a striking result of strain engineering that, under tensile strain, a ferromagnetic charge-ordered insulator, previously inaccessible to experiments, becomes stable.

  10. Electronic structure of p type Delta doped systems

    International Nuclear Information System (INIS)

    Gaggero S, L.M.; Perez A, R.

    1998-01-01

    We summarize of the results obtained for the electronic structure of quantum wells that consist in an atomic layer doped with impurities of p type. The calculations are made within the frame worth of the wrapper function approach to independent bands and with potentials of Hartree. We study the cases reported experimentally (Be in GaAs and B in Si). We present the levels of energy, the wave functions and the rate of the electronic population between the different subbands, as well as the dependence of these magnitudes with the density of impurities in the layer. The participation of the bans of heavy holes is analysed, light and split-off band in the total electronic population. The effect of the temperature is discussed and we give a possible qualitative explanation of the experimental optical properties. (Author)

  11. Influence of electron beam irradiation on electrical, structural, magnetic and thermal properties of Pr{sub 0.8}Sr{sub 0.2}MnO{sub 3} manganites

    Energy Technology Data Exchange (ETDEWEB)

    Christopher, Benedict [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Rao, Ashok, E-mail: ashokanu_rao@rediffmail.com [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Petwal, Vikash Chandra; Verma, Vijay Pal; Dwivedi, Jishnu [Industrial Accelerator Section, PSIAD, Raja Ramanna Centre for Advanced Technology, Indore 452012, M.P. (India); Lin, W.J. [Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan (China); Kuo, Y.-K., E-mail: ykkuo@mail.ndhu.edu.tw [Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan (China)

    2016-12-01

    In this communication, the effect of electron beam (EB) irradiation on the structural, electrical transport and thermal properties of Pr{sub 0.8}Sr{sub 0.2}MnO{sub 3} manganites has been investigated. Rietveld refinement of XRD data reveals that all samples are single phased with orthorhombic distorted structure (Pbnm). It is observed that the orthorhombic deformation increases with EB dosage. The Mn–O–Mn bond angle is found to increase with increase in EB dosage, presumably due to strain induced by these irradiations. Analysis on the measured electrical resistivity data indicates that the small polaron hopping model is operative in the high temperature region for pristine as well as EB irradiated samples. The electrical resistivity in the entire temperature region has been successfully fitted with the phenomenological percolation model which is based on phase segregation of ferromagnetic metallic clusters and paramagnetic insulating regions. The Seebeck coefficient (S) of the pristine as well as the irradiated samples exhibit positive values, indicating that holes is the dominant charge carriers. The analysis of Seebeck coefficient data confirms that the small polaron hopping mechanism governs the thermoelectric transport in the high temperature region. In addition, Seebeck coefficient data also is well fitted with the phenomenological percolation model. The behavior in thermal conductivity at the transition is ascribed to the local anharmonic distortions associated with small polarons. Specific heat measurement indicates that electron beam irradiation enhances the magnetic inhomogeneity of the system.

  12. Electronic structure and optical properties of metal doped tetraphenylporphyrins

    Science.gov (United States)

    Shah, Esha V.; Roy, Debesh R.

    2018-05-01

    A density functional scrutiny on the structure, electronic and optical properties of metal doped tetraphenylporphyrins MTPP (M=Fe, Co, Ni) is performed. The structural stability of the molecules is evaluated based on the electronic parameters like HOMO-LUMO gap (HLG), chemical hardness (η) and binding energy of the central metal atom to the molecular frame etc. The computed UltraViolet-Visible (UV-Vis) optical absorption spectra for all the compounds are also compared. The molecular structures reported are the lowest energy configurations. The entire calculations are carried out with a widely reliable functional, viz. B3LYP with a popular basis set which includes a scaler relativistic effect, viz. LANL2DZ.

  13. Doping of wide-bandgap titanium-dioxide nanotubes: optical, electronic and magnetic properties

    Science.gov (United States)

    Alivov, Yahya; Singh, Vivek; Ding, Yuchen; Cerkovnik, Logan Jerome; Nagpal, Prashant

    2014-08-01

    Doping semiconductors is an important step for their technological application. While doping bulk semiconductors can be easily achieved, incorporating dopants in semiconductor nanostructures has proven difficult. Here, we report a facile synthesis method for doping titanium-dioxide (TiO2) nanotubes that was enabled by a new electrochemical cell design. A variety of optical, electronic and magnetic dopants were incorporated into the hollow nanotubes, and from detailed studies it is shown that the doping level can be easily tuned from low to heavily-doped semiconductors. Using desired dopants - electronic (p- or n-doped), optical (ultraviolet bandgap to infrared absorption in co-doped nanotubes), and magnetic (from paramagnetic to ferromagnetic) properties can be tailored, and these technologically important nanotubes can be useful for a variety of applications in photovoltaics, display technologies, photocatalysis, and spintronic applications.Doping semiconductors is an important step for their technological application. While doping bulk semiconductors can be easily achieved, incorporating dopants in semiconductor nanostructures has proven difficult. Here, we report a facile synthesis method for doping titanium-dioxide (TiO2) nanotubes that was enabled by a new electrochemical cell design. A variety of optical, electronic and magnetic dopants were incorporated into the hollow nanotubes, and from detailed studies it is shown that the doping level can be easily tuned from low to heavily-doped semiconductors. Using desired dopants - electronic (p- or n-doped), optical (ultraviolet bandgap to infrared absorption in co-doped nanotubes), and magnetic (from paramagnetic to ferromagnetic) properties can be tailored, and these technologically important nanotubes can be useful for a variety of applications in photovoltaics, display technologies, photocatalysis, and spintronic applications. Electronic supplementary information (ESI) available: See DOI: 10.1039/c4nr02417f

  14. Intrinsic Local Distortions and charge carrier behavior in CMR manganites and cobaltites

    Science.gov (United States)

    Bridges, Frank

    2010-03-01

    We compare and contrast the local structure and electronic configurations in two oxide systems La1-xSrxCoO3 (LSCO) and La1-yCayMnO3 (LCMO). Although these oxides may appear quite similar they have rather different properties. At x=0, LaCoO3 (LCO) has unusual magnetic properties - diamagnetic at low T but developing a moment near 100K. The Sr doped LSCO materials show ferromagnetism for x > 0.2. For LCO, one of the possible spin state configurations called the intermediate spin (IS) state (S=1), should be Jahn-Teller (JT) active, while the low spin (S=0) and high spin (S=2) states have no JT distortion. Early local structure measurements suggested a JT distortion was present in LCO and therefore supported an IS spin model. However we find no evidence for any significant JT distortion (and hence no support for the IS model) for a range of bulk and nanoparticle cobaltites La1-xSrxCoO3, x = 0 - 0.35. In contrast there are large JT distortions in the manganites LCMO, 0.2 K-edge XANES data that shown no significant shift of the edge for the cobaltites as the Sr concentration increases from x =0 to 0.35 indicating essentially no change in the electronic configuration about Co; consequently, the holes introduced via Sr doping appear to go primarily into the O bands. In contrast there is a large shift of the Mn K-edge with Ca doping indicating a change in the average Mn valence, and a corresponding change in the Mn electronic configuration. We briefly discuss some possible models.

  15. First-principles study on electronic structures and magnetic properties of Eu-doped phosphorene

    Science.gov (United States)

    Luan, Zhaohui; Zhao, Lei; Chang, Hao; Sun, Dan; Tan, Changlong; Huang, Yuewu

    2017-11-01

    The structural, electronic and magnetic properties of Eu-doped phosphorene with different doping concentrations were investigated by first-principles calculations for the first time. The calculations show that Eu-doped phosphorene systems are stable and have the large magnetic moments of more than 6 μB by 2.7, 6.25 and 12.5 at.% doping concentrations. The major contribution to the magnetic moment stems from the 4f states of Eu-doped atom. Meanwhile, Eu-doped atom introduces the impurity bands which can be changed by different doping concentrations. In order to determine the magnetic interaction, the different configurations for two Eu atoms doping in 3 × 3 × 1 phosphorene supercell were studied, which reveals that all of the configurations tend to form ferromagnetic. These results can provide references for inducing large magnetism of two-dimensional phosphorene, which are valuable for their applications in spintronic devices and novel semiconductor materials.

  16. Experimental and theoretical studies of manganite and magnetite compounds

    International Nuclear Information System (INIS)

    Srinitiwarawong, Chatchai

    2002-01-01

    In the recent years interest in the transition oxide compounds has renewed among researchers in the field of condensed matter physics. This thesis presents the studies of the two families of the transition oxides, the manganite and magnetite compounds. Manganite has regained the interest since the discovery of the large magnetoresistance around its Curie temperature in 1990s. Magnetite on the other hand is the oldest magnetic material known to man however some of its physical properties are still controversial. The experimental works address some basic properties of these compounds when fabricated in the form of thin films. These include the resistivity measurements and magnetic measurements as well as the Hall effect. The various models of transport mechanism have been compared. The magnetic field and the temperature dependence of magnetoresistance have also been studied. Simple devices such as an artificial grain boundary and bilayers thin film have been investigated. The second part of this thesis concentrates on the theoretical aspects of the fundamental physics behind these two compounds. The problem of electrons tunnelling between the magnetite electrodes has been addressed taking into account the surface effect with distortion. The last chapter presents a theoretical study of the spinless-Hubbard model which is the simplest approximation of the conduction electrons in magnetite and manganite. The results are obtained from the Hartree-Fock and the Hubbard-I approximations as well as the exact diagonalisation method. (author)

  17. Structural and magnetotransport properties of the Y doped A-site deficient double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Mahamdioua, N., E-mail: mahamdioua.nabil@gmail.com [LEND, Faculty of Science and Technology, Jijel University, Jijel 18000 (Algeria); Amira, A. [LEND, Faculty of Science and Technology, Jijel University, Jijel 18000 (Algeria); Altintas, S.P. [Department of Physics, Faculty of Arts and Sciences, AIB University, Bolu 14280 (Turkey); Koc University, Surface Science and Technology Center (KUYTAM), 34450-Sariyer, Istanbul (Turkey); Varilci, A.; Terzioglu, C. [Department of Physics, Faculty of Arts and Sciences, AIB University, Bolu 14280 (Turkey)

    2016-08-15

    We present structural, magnetic and electrical properties of the polycrystalline A-site-deficient yttrium doped double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3 and 0.4) prepared by a solid state reaction method. The samples crystallize in the tetragonal structure with the space group I4/mmm. Doping with Y decreases the cell parameters and causes a decrease of the metal-insulator transition temperature. The same evolution with doping is also seen for the deduced Curie temperature from susceptibility curves which present a clear paramagnetic-ferromagnetic transition. The significant positive intrinsic magnetoresistance, shown in all samples, reaches 85% at 122 K under 7 T for 0.3 doped sample and can be attributed to the suppression of spin fluctuations via aligning the spins under external magnetic field, while the extrinsic one is attributed to the inter-grain spin-polarized tunneling across the grain boundaries. The simulation of the resistivity curves in the entire temperature range show that the percolation model is suitable to fit our results. The applied magnetic field increases the density of states near the Fermi level, which is in accordance with the observed decrease of resistivity. - Graphical abstract: Resistivity and magnetoresistance of La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3, 0.4). Solid lines correspond to the fitting results. Display Omitted.

  18. Behaviour of superconductivity energetic characteristics in electron-doped cuprates. A simple model

    International Nuclear Information System (INIS)

    Kristoffel, N.; Rubin, P.

    2008-01-01

    A simple model to describe the energetic phase diagram of electron-doped cuprate superconductor is developed. Interband pairing operates between the UHB and the defect states created by doping and supplied by both extincting HB-s. Two defect subbands correspond to the (π,0) and (π/2,π/2) momentum regions. Extended doping quenches the bare normal state gaps (pseudogaps). Maximal transition temperature corresponds to overlapping bands ensemble intersected by the chemical potential. Illustrative results for T c , pseudo- and superconducting gaps are calculated on the whole doping scale. Major characteristic features on the phase diagram are reproduced. Anticipated manifestation of gaps doping dynamics is discussed

  19. Electron transport in heavily doped GdN

    Science.gov (United States)

    Maity, T.; Trodahl, H. J.; Natali, F.; Ruck, B. J.; Vézian, S.

    2018-01-01

    We report measurements of electron transport phenomena in the intrinsic ferromagnetic semiconductor GdN doped with 1.3 ×1021cm-3 electrons. The conductivity, carrier concentration, and thermoelectric power are compared with expectations based on an LSDA+U band structure. In the ferromagnetic state the carriers fill the majority-spin conduction band pockets to the bottom of the minority-spin band. The resistance implies an electron mobility of 18 cm2V-1s-1 at zero temperature, and in turn a mean-free path of 10-30 nm. Spin disorder scattering rapidly reduces the mobility near the 70 K Curie temperature (TC). The thermoelectric power is negative in the paramagnetic phase, as expected for a n -type conductor, with a magnitude that is in agreement with the Fermi energy implied by the band structure. The thermopower reverses sign to be positive in the ferromagnetic phase, which correlates with a strongly temperature-dependent electron diffusion from spin-disorder scattering that increases rapidly as the temperature rises toward TC.

  20. Electron paramagnetic resonance in Cu-doped ZnO

    Science.gov (United States)

    Buchheit, R.; Acosta-Humánez, F.; Almanza, O.

    2016-04-01

    In this work, ZnO and Cu-doped ZnO nanoparticles (Zn1-xCuxO, x = 3%), with a calcination temperature of 500∘C were synthesized using the sol-gel method. The particles were analyzed using atomic absorption spectroscopy (AAS), X-ray diffraction (XRD) and electron paramagnetic resonance (EPR) at X-band, measurement in a temperature range from 90 K to room temperature. AAS confirmed a good correspondence between the experimental doping concentration and the theoretical value. XRD reveals the presence of ZnO phase in hexagonal wurtzite structure and a nanoparticle size for the samples synthesized. EPR spectroscopy shows the presence of point defects in both samples with g-values of g = 1.959 for shallow donors and g = 2.004 for ionized vacancies. It is important when these materials are required have been used as catalysts, as suggested that it is not necessary prepare them at higher temperature. A simulation of the Cu EPR signal using an anisotropic spin Hamiltonian was performed and showed good coincidence with the experimental spectra. It was shown that Cu2+ ions enter interstitial octahedral sites of orthorhombic symmetry in the wurtzite crystal structure. Temperature dependence of the EPR linewidth and signal intensity shows a paramagnetic behavior of the sample in the measurement range. A Néel temperature TN = 78 ± 19 K was determined.

  1. Electronic properites of electron-doped cuprate superconductors probed by high-field magnetotransport

    International Nuclear Information System (INIS)

    Helm, Toni

    2013-01-01

    In the present work the normal-state properties of the electron-doped cuprate superconductor Nd 2-x Ce x CuO 4 (NCCO) are investigated for a broad doping range, covering almost the whole phase diagram of this material. Magnetotransport measurements in the world's highest non-destructive magnetic fields were used as a spectroscopic tool for probing the electronic structure of single-crystalline NCCO as a function of the carrier concentration x. Quantum and semiclassical oscillations in the magnetoresistance provided new insights into various properties of the Fermi surface and the nature of the ground state in the system. The detailed investigations of the field- and temperature-dependent transport and its dependence on the field orientation have revealed a close correlation between symmetry-breaking ordering instabilities and the superconducting state.

  2. Electronic properites of electron-doped cuprate superconductors probed by high-field magnetotransport

    Energy Technology Data Exchange (ETDEWEB)

    Helm, Toni

    2013-09-18

    In the present work the normal-state properties of the electron-doped cuprate superconductor Nd{sub 2-x}Ce{sub x}CuO{sub 4} (NCCO) are investigated for a broad doping range, covering almost the whole phase diagram of this material. Magnetotransport measurements in the world's highest non-destructive magnetic fields were used as a spectroscopic tool for probing the electronic structure of single-crystalline NCCO as a function of the carrier concentration x. Quantum and semiclassical oscillations in the magnetoresistance provided new insights into various properties of the Fermi surface and the nature of the ground state in the system. The detailed investigations of the field- and temperature-dependent transport and its dependence on the field orientation have revealed a close correlation between symmetry-breaking ordering instabilities and the superconducting state.

  3. Electronic properites of electron-doped cuprate superconductors probed by high-field magnetotransport

    Energy Technology Data Exchange (ETDEWEB)

    Helm, Toni

    2013-09-18

    In the present work the normal-state properties of the electron-doped cuprate superconductor Nd{sub 2-x}Ce{sub x}CuO{sub 4} (NCCO) are investigated for a broad doping range, covering almost the whole phase diagram of this material. Magnetotransport measurements in the world's highest non-destructive magnetic fields were used as a spectroscopic tool for probing the electronic structure of single-crystalline NCCO as a function of the carrier concentration x. Quantum and semiclassical oscillations in the magnetoresistance provided new insights into various properties of the Fermi surface and the nature of the ground state in the system. The detailed investigations of the field- and temperature-dependent transport and its dependence on the field orientation have revealed a close correlation between symmetry-breaking ordering instabilities and the superconducting state.

  4. Magnetic properties of electron-doped La{sub 0.23}Ca{sub 0.77}MnO{sub 3} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Markovich, V., E-mail: markoviv@bgu.ac.il; Jung, G. [Ben-Gurion University of the Negev, Department of Physics (Israel); Wisniewski, A. [Polish Academy of Sciences, Institute of Physics (Poland); Mogilyansky, D. [Ben-Gurion University of the Negev, Ilse Katz Institute for Nanoscale Science and Technology (Israel); Puzniak, R. [Polish Academy of Sciences, Institute of Physics (Poland); Kohn, A. [Ben-Gurion University of the Negev, Ilse Katz Institute for Nanoscale Science and Technology (Israel); Wu, X. D.; Suzuki, K. [Monash University, Department of Materials Engineering (Australia); Gorodetsky, G. [Ben-Gurion University of the Negev, Department of Physics (Israel)

    2012-09-15

    Magnetic properties of electron-doped La{sub 0.23}Ca{sub 0.77}MnO{sub 3} manganite nanoparticles, with average size of 12 and 60 nm, prepared by the glycine-nitrate method, have been investigated in the temperature range 5-300 K and magnetic fields up to 90 kOe. It is suggested that weak ferromagnetic moment results from ferromagnetic shells of the basically antiferromagnetic nanoparticles and from domains of frustrated disordered phase in the core. Assumption of two distinct sources of ferromagnetism is supported by the appearance of two independent ferromagnetic contributions in the fit of the T{sup 3/2} Bloch law to spontaneous magnetization. The ferromagnetic components, which are more pronounced in smaller particles, occupy only a small fraction of the nanoparticle volume and the antiferromagnetic ground state remains stable. It is found that the magnetic hysteresis loops following field cooled processes, display size-dependent horizontal and vertical shifts, namely, exhibiting exchange bias effect. Time-dependent magnetization dynamics demonstrating two relaxation rates were observed at constant magnetic fields upon cooling to T < 100 K.

  5. Low-temperature resistivity anomaly in underdoped Pr0.8Sr0.2MnO3 manganite nanoparticles

    International Nuclear Information System (INIS)

    Das, Proloy T.; Giri, S.K.; Panda, J.; Taraphder, A.; Nath, T.K.; Nigam, A.K.

    2013-01-01

    High resolution electrical resistivity measurements were carried out of under-doped Pr 0.8 Sr 0.2 MnO 3 manganite nanoparticles with grain size modulation down to 40 nm in magnetic fields H, from 0 to 9 T in the low temperature regime down to a temperature of 4.2 K. In the temperature range below 80 K, a distinct resistivity minima is observed for all the samples with different particle sizes for all H. While trying to fit low temperature resistivity data with different models for the observed resistivity minima with negative temperature coefficient of resistance (TCR) for all H, it appears that all the data for different particle sizes, can be best described by electron-electron (e-e) interaction effect in comparison with other models, e.g., Kondo model, coulomb blockades etc. The low temperature data for all H have been fitted with an expression containing three terms, namely, residual resistivity, inelastic scattering, e-e interaction and Kondo effects. We conclude that the e-e interaction is the dominant transport mechanism at low temperatures for the observed negative TCR in this strongly disordered nanometric Pr 0.8 Sr 0.2 MnO 3 phase separated manganite system. (author)

  6. Electronic structure and optical properties of Al and Mg co-doped GaN

    International Nuclear Information System (INIS)

    Ji Yan-Jun; Du Yu-Jie; Wang Mei-Shan

    2013-01-01

    The electronic structure and optical properties of Al and Mg co-doped GaN are calculated from first principles using density function theory with the plane-wave ultrasoft pseudopotential method. The results show that the optimal form of p-type GaN is obtained with an appropriate Al:Mg co-doping ratio rather than with only Mg doping. Al doping weakens the interaction between Ga and N, resulting in the Ga 4s states moving to a high energy region and the system band gap widening. The optical properties of the co-doped system are calculated and compared with those of undoped GaN. The dielectric function of the co-doped system is anisotropic in the low energy region. The static refractive index and reflectivity increase, and absorption coefficient decreases. This provides the theoretical foundation for the design and application of Al—Mg co-doped GaN photoelectric materials

  7. Engineering magnetism at functional oxides interfaces: manganites and beyond.

    Science.gov (United States)

    Yi, Di; Lu, Nianpeng; Chen, Xuegang; Shen, Shengchun; Yu, Pu

    2017-11-08

    The family of transition metal oxides (TMOs) is a large class of magnetic materials that has been intensively studied due to the rich physics involved as well as the promising potential applications in next generation electronic devices. In TMOs, the spin, charge, orbital and lattice are strongly coupled, and significant advances have been achieved to engineer the magnetism by different routes that manipulate these degrees of freedom. The family of manganites is a model system of strongly correlated magnetic TMOs. In this review, using manganites thin films and the heterostructures in conjunction with other TMOs as model systems, we review the recent progress of engineering magnetism in TMOs. We first discuss the role of the lattice that includes the epitaxial strain and the interface structural coupling. Then we look into the role of charge, focusing on the interface charge modulation. Having demonstrated the static effects, we continue to review the research on dynamical control of magnetism by electric field. Next, we review recent advances in heterostructures comprised of high T c cuprate superconductors and manganites. Following that, we discuss the emergent magnetic phenomena at interfaces between 3d TMOs and 5d TMOs with strong spin-orbit coupling. Finally, we provide our outlook for prospective future directions.

  8. Microstructure, interparticle interactions and magnetotransport of manganite-polyaniline nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Mariano; Faccio, Ricardo; Pardo, Helena [Centro NanoMat/Cryssmat Lab, DETEMA, Facultad de Química, Universidad de la República (Uruguay); Centro Interdisciplinario de Nanotecnología, Química y Física de Materiales, Espacio Interdisciplinario, Universidad de la República (Uruguay); Tumelero, Milton A. [Laboratorio de filmes finos e superficies, Departamento de Física, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Campos Plá Cid, Cristiani [Laboratorio Central de Microscopia Electronica, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Pasa, André A. [Laboratorio de filmes finos e superficies, Departamento de Física, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Laboratorio Central de Microscopia Electronica, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Mombrú, Álvaro W., E-mail: amombru@fq.edu.uy [Centro NanoMat/Cryssmat Lab, DETEMA, Facultad de Química, Universidad de la República (Uruguay); Centro Interdisciplinario de Nanotecnología, Química y Física de Materiales, Espacio Interdisciplinario, Universidad de la República (Uruguay)

    2016-03-01

    In this report, we present the study on the microstructure and interparticle interactions of manganite-polyaniline nanocomposites using grazing incidence small angle X-ray scattering (SAXS). In order to determine the nanoparticles mean diameter and correlation distances, data analysis was performed using the Guinier and Beaucage fits, in good agreement with transmission electron microscopy and X-ray diffraction analysis. The analysis of the interference functions revealed the existence of attractive interactions between nanoparticles. The nanocomposites with higher manganite concentration showed best fitting using the sticky hard sphere approximation. A weakening in the attractive interaction with increasing the dilution of nanoparticles in the polymer matrix was observed until a critical volume fraction (ϕ{sub c} ∼ 0.4) is reached, upon which the hard sphere approximation showed best fitting. The interaction potentials were estimated at room temperature revealing a decrease in the depth and width of the square well with increasing nanoparticle dilution. Coercive field and remanent magnetization showed a decrease with increasing polymer addition suggesting the declining of dipole–dipole interactions, in agreement with SAXS analysis. Magnetoresistance also showed an enhancement that could be probably associated to the decrease in the dipole–dipole interactions between ferromagnetic La{sub 2/3}Sr{sub 1/3}MnO{sub 3} (LSMO) nanoparticles at a critical separation distance in these nanocomposites. - Highlights: • A SAXS study on the microstructure of manganite-polyaniline nanocomposites is reported. • We report the presence of attractive interactions for the composites with higher concentration in manganite. • Interparticle dipole–dipole interactions were estimated by means of the SAXS interference function. • Coercive field and remanent magnetization studies showed agreement with SAXS analysis. • Magnetotransport showed an enhancement in relation to

  9. Modulation of electronic transport properties in armchair phosphorene nanoribbons by doping and edge passivation.

    Science.gov (United States)

    Guo, Caixia; Wang, Tianxing; Xia, Congxin; Liu, Yufang

    2017-10-09

    The electronic structures and transport properties of group IV atoms (C, Si, Ge)-doped armchair phosphorene nanoribbons (APNRs) are investigated using first-principles calculations, considering different edge passivation. The results show that the C, Si, Ge dopants can induce the transition occur from semiconductor to metal in the APNRs. The negative differential resistance (NDR) behavior in the doped APNR system is robust with respect to the doping concentration and edge passivation type. However, their current peak positions and peak-to-valley ratio (PVR) values are correlated with doping concentration and edge passivation type. In particular, for the C, Si-doped APNRs, the low bias NDR behavior with the PVR (10 5 -10 8 ) can be observed when doping concentration is low in the APNRs with the F and H edge passivation. These results may play an important role for the fabrication of future low power consumption nano-electronic devices.

  10. Synthesis, microstructure and EPR of CaMnO3 and EuxCa1-xMnO3 manganite, obtained by coprecipitation

    International Nuclear Information System (INIS)

    Santiago T, M.; Hernandez C, L.; Legorreta G, F.; Montiel S, H.; Alvarez L, G.; Flores G, M. A.

    2011-01-01

    The synthesis of CaMnO 3 and Eu x Ca 1-x MnO 3 obtained by coprecipitation method is showed. The synthesized samples were characterized by X-ray diffraction and scanning electronic microscopy, the powders showed orthorhombic structure and pnma space group. When it was doped with Europium, their morphology tendency was spherical. Measurements were carried out on electron paramagnetic resonance (EPR) with constant frequency = 9.4 GHz (band X) and dc magnetic field (H dc) 0-0.8 T, measurements were at 300 K and 77 K. EPR spectra showed significant differences between both samples, indicating that the substitution of divalent alkaline earth cations by trivalent rare earth ions, allowing the formation of a mixed valence state of manganese, Mn 3+ and Mn 4+ . A 77 K, the manganite of concentration x = 0.30 had a magnetic ordering, noted by the presence of hysteresis. (Author)

  11. Tensile Strain Effects on the Magneto-transport in Calcium Manganese Oxide Thin Films: Comparison with its Hole-doped Counterpart

    Science.gov (United States)

    Lawson, Bridget; Neubauer, Samuel; Chaudhry, Adeel; Hart, Cacie; Ferrone, Natalie; Houston, David; Yong, Grace; Kolagani, Rajeswari

    Magnetoresistance properties of the epitaxial thin films of doped rare earth manganites are known to be influenced by the effect of bi-axial strain induced by lattice mismatch with the substrate. In hole-doped manganites, the effect of both compressive and tensile strain is qualitatively consistent with the expected changes in unit cell symmetry from cubic to tetragonal, leading to Jahn-Teller strain fields that affect the energy levels of Mn3 + energy levels. Recent work in our laboratory on CaMnO3 thin films has pointed out that tetragonal distortions introduced by tensile lattice mismatch strain may also have the effect of modulating the oxygen content of the films in agreement with theoretical models that propose such coupling between strain and oxygen content. Our research focuses on comparing the magneto-transport properties of hole-doped manganite LaCaMnO3 thin films with that of its electron doped counter parts, in an effort to delineate the effects of oxygen stoichiometry changes on magneto-transport from the effects of Jahn-Teller type strain. Towson University Office of Undergraduate Research, Fisher Endowment Grant and Undergraduate Research Grant from the Fisher College of Science and Mathematics, Seed Funding Grant from the School of Emerging technologies and the NSF Grant ECCS 112856.

  12. Large-area uniform electron doping of graphene by Ag nanofilm

    Directory of Open Access Journals (Sweden)

    Xiaopeng Guo

    2017-04-01

    Full Text Available Graphene has attracted much attention at various research fields due to its unique optical, electronic and mechanical properties. Up to now, graphene has not been widely used in optoelectronic fields due to the lack of large-area uniform doped graphene (n-doped and p-doped with smooth surface. Therefore, it is rather desired to develop some effective doping methods to extend graphene to optoelectronics. Here we developed a novel doping method to prepare large-area (> centimeter scale uniform doped graphene film with a nanoscale roughness(RMS roughness ∼1.4 nm, the method (nano-metal film doping method is simple but effective. Using this method electron doping (electron-injection may be easily realized by the simple thermal deposition of Ag nano-film on a transferred CVD graphene. The doping effectiveness has been proved by Raman spectroscopy and spectroscopic ellipsometry. Importantly, our method sheds light on some potential applications of graphene in optoelectronic devices such as photodetectors, LEDs, phototransistors, solar cells, lasers etc.

  13. Electron field emission from undoped and doped DLC films

    International Nuclear Information System (INIS)

    Chakhovskoi, A G; Evtukh, A A; Felter, T E; Klyui, N I; Kudzinovsky, S Y; Litovchenko, V G; Litvin, Y M

    1999-01-01

    Electron field emission and electrical conductivity of undoped and nitrogen doped DLC films have been investigated. The films were grown by the PE CVD method from CH(sub 4):H(sub 2) and CH(sub 4):H(sub 2):N(sub 2) gas mixtures, respectively. By varying nitrogen content in the gas mixture over the range 0 to 45%, corresponding concentrations of 0 to 8% (atomic) could be achieved in the films. Three different gas pressures were used in the deposition chamber: 0.2, 0.6 and 0.8 Torr. Emission current measurements were performed at approximately 10(sup -6) Torr using the diode method with emitter-anode spacing set at 20(micro)m. The current - voltage characteristics of the Si field electron emission arrays covered with DLC films show that threshold voltage (V(sub th)) varies in a complex manner with nitrogen content. As a function of nitrogen content, V(sub th) initially increases rapidly, then decreases and finally increases again for the highest concentration. Corresponding Fowler-Nordheim (F-N) plots follow F-N tunneling over a wide range. The F-N plots were used for determination of the work function, threshold voltage, field enhancement factor and effective emission area. For a qualitative explanation of experimental results, we treat the DLC film as a diamond-like (sp(sup 3) bonded) matrix with graphite-like inclusions

  14. Electrical, optical, and electronic properties of Al:ZnO films in a wide doping range

    International Nuclear Information System (INIS)

    Valenti, Ilaria; Valeri, Sergio; Benedetti, Stefania; Bona, Alessandro di; Lollobrigida, Valerio; Perucchi, Andrea; Di Pietro, Paola; Lupi, Stefano; Torelli, Piero

    2015-01-01

    The combination of photoemission spectroscopies, infrared and UV-VIS absorption, and electric measurements has allowed to clarify the mechanisms governing the conductivity and the electronic properties of Al-doped ZnO (AZO) films in a wide doping range. The contribution of defect-related in-gap states to conduction has been excluded in optimally doped films (around 4 at. %). The appearance of gap states at high doping, the disappearance of occupied DOS at Fermi level, and the bands evolution complete the picture of electronic structure in AZO when doped above 4 at. %. In this situation, compensating defects deplete the conduction band and increase the electronic bandgap of the material. Electrical measurements and figure of merit determination confirm the high quality of the films obtained by magnetron sputtering, and thus allow to extend their properties to AZO films in general

  15. Electrical, optical, and electronic properties of Al:ZnO films in a wide doping range

    Energy Technology Data Exchange (ETDEWEB)

    Valenti, Ilaria; Valeri, Sergio [CNR, Istituto Nanoscienze, S3, Via G. Campi 213/a, 41125 Modena (Italy); Dipartimento di Scienze Fisiche, Informatiche e Matematiche, Università di Modena e Reggio Emilia, Via G. Campi 213/a, 41125 Modena (Italy); Benedetti, Stefania, E-mail: stefania.benedetti@unimore.it; Bona, Alessandro di [CNR, Istituto Nanoscienze, S3, Via G. Campi 213/a, 41125 Modena (Italy); Lollobrigida, Valerio [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome, Italy and Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Perucchi, Andrea; Di Pietro, Paola [INSTM Udr Trieste-ST and Elettra-Sincrotrone Trieste S.C.p.A., Area Science Park, I-34012 Trieste (Italy); Lupi, Stefano [CNR-IOM and Dipartimento di Fisica, Università di Roma Sapienza, P.le Aldo Moro 2, I-00185 Roma (Italy); Torelli, Piero [Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste (Italy)

    2015-10-28

    The combination of photoemission spectroscopies, infrared and UV-VIS absorption, and electric measurements has allowed to clarify the mechanisms governing the conductivity and the electronic properties of Al-doped ZnO (AZO) films in a wide doping range. The contribution of defect-related in-gap states to conduction has been excluded in optimally doped films (around 4 at. %). The appearance of gap states at high doping, the disappearance of occupied DOS at Fermi level, and the bands evolution complete the picture of electronic structure in AZO when doped above 4 at. %. In this situation, compensating defects deplete the conduction band and increase the electronic bandgap of the material. Electrical measurements and figure of merit determination confirm the high quality of the films obtained by magnetron sputtering, and thus allow to extend their properties to AZO films in general.

  16. Oxygen and disorder effect in the magnetic properties of manganite films

    Energy Technology Data Exchange (ETDEWEB)

    Sirena, M. E-mail: sirenam@ib.cnea.gov.ar; Haberkorn, N.; Granada, M.; Steren, L.B.; Guimpel, J

    2004-05-01

    We have made a systematic study of the magnetic properties of low doped manganite films submitted to different oxygenation treatments. We have found that oxygenation dynamics depends critically of the strain field in the sample. The T{sub C} and the Mr increase as the oxygen content is increased. A decrease of the coercive field of the LSMO-STO films was observed, indicating that annealing treatments increase the oxygen content reducing oxygen vacancies.

  17. Oxygen and disorder effect in the magnetic properties of manganite films

    International Nuclear Information System (INIS)

    Sirena, M.; Haberkorn, N.; Granada, M.; Steren, L.B.; Guimpel, J.

    2004-01-01

    We have made a systematic study of the magnetic properties of low doped manganite films submitted to different oxygenation treatments. We have found that oxygenation dynamics depends critically of the strain field in the sample. The T C and the Mr increase as the oxygen content is increased. A decrease of the coercive field of the LSMO-STO films was observed, indicating that annealing treatments increase the oxygen content reducing oxygen vacancies

  18. Current-driven channel switching and colossal positive magnetoresistance in the manganite-based structure

    International Nuclear Information System (INIS)

    Volkov, N V; Eremin, E V; Tsikalov, V S; Patrin, G S; Kim, P D; Seong-Cho, Yu; Kim, Dong-Hyun; Chau, Nguyen

    2009-01-01

    The transport and magnetotransport properties of a newly fabricated tunnel structure manganite/depletion layer/manganese silicide have been studied in the current-in-plane (CIP) geometry. A manganite depletion layer in the structure forms a potential barrier sandwiched between two conducting layers, one of manganite and the other of manganese silicide. The voltage-current characteristics of the structure are nonlinear due to switching conducting channels from an upper manganite film to a bottom, more conductive MnSi layer with an increase in the current applied to the structure. Bias current assists tunnelling of a carrier across the depletion layer; thus, a low-resistance contact between the current-carrying electrodes and the bottom layer is established. Below 30 K, both conducting layers are in the ferromagnetic state (magnetic tunnel junction), which allows control of the resistance of the tunnel junction and, consequently, switching of the conducting channels by the magnetic field. This provides a fundamentally new mechanism of magnetoresistance (MR) implementation in the magnetic layered structure with CIP geometry. MR of the structure under study depends on the bias current and can reach values greater than 400% in a magnetic field lower than 1 kOe. A positive MR value is related to peculiarities of the spin-polarized electronic structures of manganites and manganese silicides.

  19. Electronic structure of B-doped diamond: A first-principles study

    Directory of Open Access Journals (Sweden)

    T. Oguchi

    2006-01-01

    Full Text Available Electronic structure of B-doped diamond is studied based on first-principles calculations with supercell models for substitutional and interstitial doping at 1.5–3.1 at.% B concentrations. Substitutional doping induces holes around the valence-band maximum in a rigid-band fashion. The nearest neighbor C site to B shows a large energy shift of 1s core state, which may explain reasonably experimental features in recent photoemission and X-ray absorption spectra. Doping at interstitial Td site is found to be unstable compared with that at the substitutional site

  20. The Electronic and Optical Properties of Au Doped Single-Layer Phosphorene

    Science.gov (United States)

    Zhu, Ziqing; Chen, Changpeng; Liu, Jiayi; Han, Lu

    2018-01-01

    The electronic properties and optical properties of single and double Au-doped phosphorene have been comparatively investigated using the first-principles plane-wave pseudopotential method based on density functional theory. The decrease from direct band gap 0.78 eV to indirect band gap 0.22 and 0.11 eV are observed in the single and double Au-doped phosphorene, respectively. The red shifts of absorbing edge occur in both doped systems, which consequently enhance the absorbing of infrared light in phosphorene. Band gap engineering can, therefore, be used to directly tune the optical absorption of phosphorene system by substitutional Au doping.

  1. Effect of doping on electronic states in B-doped polycrystalline CVD diamond films

    International Nuclear Information System (INIS)

    Elsherif, O S; Vernon-Parry, K D; Evans-Freeman, J H; May, P W

    2012-01-01

    High-resolution Laplace deep-level transient spectroscopy (LDLTS) and thermal admittance spectroscopy (TAS) have been used to determine the effect of boron (B) concentration on the electronic states in polycrystalline chemical vapour deposition diamond thin films grown on silicon by the hot filament method. A combination of high-resolution LDLTS and direct-capture cross-sectional measurements was used to investigate whether the deep electronic states present in the layers originated from point or extended defects. There was good agreement between data on deep electronic levels obtained from DLTS and TAS experiments. Two hole traps, E1 (0.29 eV) and E2 (0.53 eV), were found in a film with a boron content of 1 × 10 19 cm −3 . Both these levels and an additional level, E3 (0.35 eV), were found when the B content was increased to 4 × 10 19 cm −3 . Direct capture cross-sectional measurements of levels E1 and E2 show an unusual dependence on the fill-pulse duration which is interpreted as possibly indicating that the levels are part of an extended defect. The E3 level found in the more highly doped film consisted of two closely spaced levels, both of which show point-like defect characteristics. The E1 level may be due to B-related extended defects within the grain boundaries, whereas the ionization energy of the E2 level is in agreement with literature values from ab initio calculations for B–H complexes. We suggest that the E3 level is due to isolated B-related centres in bulk diamond. (paper)

  2. Electronic and magnetic properties of SnS2 monolayer doped with 4d transition metals

    Science.gov (United States)

    Xiao, Wen-Zhi; Xiao, Gang; Rong, Qing-Yan; Chen, Qiao; Wang, Ling-Ling

    2017-09-01

    We investigate the electronic structures and magnetic properties of SnS2 monolayers substitutionally doped with 4-d transition-metal through systematic first principles calculations. The doped complexes exhibit interesting electronic and magnetic behaviors, depending on the interplay between crystal field splitting, Hund's rule, and 4d levels. The system doped with Y is nonmagnetic metal. Both the Zr- and Pd-doped systems remain nonmagnetic semiconductors. Doping results in half-metallic states for Nb-, Ru-, Rh-, Ag, and Cd doped cases, and magnetic semiconductors for systems with Mo and Tc dopants. In particular, the Nb- and Mo-doped systems display long-ranged ferromagnetic ordering with Curie temperature above room temperature, which are primarily attributable to the double-exchange mechanism, and the p-d/p-p hybridizations, respectively. Moreover, The Mo-doped system has excellent energetic stability and flexible mechanical stability, and also possesses remarkable dynamic and thermal (500 K) stability. Our studies demonstrate that Nb- and Mo-doped SnS2 monolayers are promising candidates for preparing 2D diluted magnetic semiconductors, and hence will be a helpful clue for experimentalists.

  3. Electronic and magnetic properties of nonmetal atoms doped blue phosphorene: First-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Huiling; Yang, Hui [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Wang, Hongxia [College of Mathematics, Physics and Information Science, Zhejiang Ocean University, Zhoushan 316000 (China); Du, Xiaobo [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Yan, Yu, E-mail: yanyu@jlu.edu.cn [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China)

    2016-06-15

    Using first-principles calculations, we study the geometrical structure, electronic structure and magnetic properties of substitutionally doped blue phosphorene with a series of nonmetallic atoms, including F, Cl, B, N, C, Si and O. The calculated formation energies and molecular dynamics simulations indicate that F, Cl, B, N, C, Si and O doped blue phosphorene are stable. Moreover, the substitutional doping of F, Cl, B and N cannot induce the magnetism in blue phosphorene due to the saturation or pairing of the valence electron of dopant and its neighboring P atoms. In contrast, ground states of C, Si and O doped blue phosphorene are spin-polarized and the magnetic moments induced by a doping atom are all 1.0 μ{sub B}, which is attributed to the appearance of an unpaired valence electron of C and Si and the formation of a nonbonding 3p electron of a neighboring P atom around O. Furthermore, the magnetic coupling between the moments induced by two C, Si and O are found to be long-range anti-ferromagnetic and the origin of the coupling can be attributed to the p–p hybridization interaction involving polarized electrons. - Highlights: • F, Cl, B, N, C, Si and O doped blue phosphorene are stable. • Substitutional doping of C, Si and O can produce the magnetism in blue phosphorene. • Magnetic coupling between two C, Si and O is long-range anti-ferromagnetic.

  4. Electronic and magnetic properties of SnS2 monolayer doped with non-magnetic elements

    Science.gov (United States)

    Xiao, Wen-Zhi; Xiao, Gang; Rong, Qing-Yan; Wang, Ling-Ling

    2018-05-01

    We performed a systematic study of the electronic structures and magnetic properties of SnS2 monolayer doped with non-magnetic elements in groups IA, IIA and IIIA based on the first-principles methods. The doped systems exhibit half-metallic and metallic natures depending on the doping elements. The formation of magnetic moment is attributable to the cooperative effect of the Hund's rule coupling and hole concentration. The spin polarization can be stabilized and enhanced through confining the delocalized impurity states by biaxial tensile strain in hole-doped SnS2 monolayer. Both the double-exchange and p-p exchange mechanisms are simultaneously responsible for the ferromagnetic ground state in those hole-doped materials. Our results demonstrate that spin polarization can be induced and controlled in SnS2 monolayers by non-magnetic doping and tensile strain.

  5. Impact of potassium doping on the electronic structure of tetracene and pentacene: An electron energy-loss study

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Friedrich, E-mail: Friedrich.Roth@cfel.de [Center for Free-Electron Laser Science / DESY, Notkestraße 85, D-22607 Hamburg (Germany); Knupfer, Martin, E-mail: M.Knupfer@ifw-dresden.de [IFW Dresden, P.O. Box 270116, D-01171 Dresden (Germany)

    2015-10-21

    We report the doping induced changes of the electronic structure of tetracene and pentacene probed by electron energy-loss spectroscopy in transmission. A comparison between the dynamic response of undoped and potassium-intercalated tetracene and pentacene emphasizes the appearance of a new excitation feature in the former gap upon potassium addition. Interestingly, the momentum dependency of this new excitation shows a negative dispersion. Moreover, the analysis of the C 1s and K 2p core-level excitation results in a significantly lower doping level compared to potassium doped picene, a recently discovered superconductor. Therefore, the present electronic structure investigations open a new pathway to better understand the exceptional differences between acenes and phenacene and their divergent behavior upon alkali doping.

  6. Thermoelectric performance of electron and hole doped PtSb2

    KAUST Repository

    Saeed, Yasir; Singh, Nirpendra; Parker, D.; Schwingenschlö gl, Udo

    2013-01-01

    We investigate the thermoelectric properties of electron and hole doped PtSb2. Our results show that for doping of 0.04 holes per unit cell ( 1.5×1020 cm−3 ) PtSb2 shows a high Seebeck coefficient at room temperature, which can also be achieved at other temperatures by controlling the carrier concentration (both electron and hole). The electrical conductivity becomes temperature independent when the doping exceeds some 0.2 electrons/holes per unit cell. The figure of merit at 800 K in electron and hole doped PtSb2 is comparatively low at 0.13 and 0.21, respectively, but may increase significantly with As alloying due to the likely opening of a band gap and reduction of the lattice thermal conductivity.

  7. Doping-controlled Coherent Electron-Phonon Coupling in Vanadium Dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Appavoo, Kannatassen [Vanderbilt Univ., Nashville, TN (United States) Interdisciplinary Materials Science; Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials; Wang, Bin [Vanderbilt Univ., Nashville, TN (United States) Dept. of Physics and Astronomy; Nag, Joyeeta [Vanderbilt Univ., Nashville, TN (United States) Dept. of Physics and Astronomy; Sfeir, Matthew Y. [Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials; Pantelides, Sokrates T. [Vanderbilt Univ., Nashville, TN (United States) Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Vanderbilt Univ., Nashville, TN (United States). Dept. of Electrical Engineering and Computer Science; Haglund, Richard F. [Vanderbilt Univ., Nashville, TN (United States) Interdisciplinary Materials Science and Dept. of Physics and Astronomy

    2015-05-10

    Broadband femtosecond transient spectroscopy and density functional calculations reveal that substitutional tungsten doping of a VO2 film changes the coherent phonon response compared to the undoped film due to altered electronic and structural dynamics.

  8. Thermoelectric performance of electron and hole doped PtSb2

    KAUST Repository

    Saeed, Yasir

    2013-04-30

    We investigate the thermoelectric properties of electron and hole doped PtSb2. Our results show that for doping of 0.04 holes per unit cell ( 1.5×1020 cm−3 ) PtSb2 shows a high Seebeck coefficient at room temperature, which can also be achieved at other temperatures by controlling the carrier concentration (both electron and hole). The electrical conductivity becomes temperature independent when the doping exceeds some 0.2 electrons/holes per unit cell. The figure of merit at 800 K in electron and hole doped PtSb2 is comparatively low at 0.13 and 0.21, respectively, but may increase significantly with As alloying due to the likely opening of a band gap and reduction of the lattice thermal conductivity.

  9. Hybridized electronic states in potassium-doped picene probed by soft x-ray spectroscopies

    Directory of Open Access Journals (Sweden)

    Hiroyuki Yamane

    2012-12-01

    Full Text Available The electronic structure of the unoccupied and occupied states of potassium (K-doped and undoped picene crystalline films has been investigated by using the element-selective and bulk-sensitive photon-detection methods of X-ray absorption and emission spectroscopies. We observed the formation of the doping-induced unoccupied and occupied electronic states in K-doped picene. By applying the inner-shell resonant-excitation experiments, we observed the evidence for the orbital hybridization between K and picene near the Fermi energy. Furthermore, the resonant X-ray emission experiment suggests the presence of the Raman-active vibronic interaction in K-doped picene. These experimental evidences play a crucial role in the superconductivity of K-doped picene.

  10. Electron irradiation response on Ge and Al-doped SiO{sub 2} optical fibres

    Energy Technology Data Exchange (ETDEWEB)

    Yaakob, N.H.; Wagiran, H. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor Darul Takzim (Malaysia); Hossain, I., E-mail: imamhossain@utm.m [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor Darul Takzim (Malaysia); Ramli, A.T. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor Darul Takzim (Malaysia); Bradley, D.A [Department of Physics, University of Surrey, Guildford GU2 7XH (United Kingdom); Hashim, S. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor Darul Takzim (Malaysia); Ali, H. [Department of Radiotherapy and Oncology, Hospital Sultan Ismail, Johor Darul Takzim (Malaysia)

    2011-05-01

    This paper describes the thermoluminescence response, sensitivity, stability and reproducibility of SiO{sub 2} optical fibres with various electron energies and doses. The TL materials that comprise Al- and Ge-doped silica fibres were used in this experiment. The TL results are compared with those of the commercially available TLD-100. The doped SiO{sub 2} optical fibres and TLD-100 are placed in a solid phantom and irradiated with 6, 9 and 12 MeV electron beams at doses ranging from 0.2 to 4.0 Gy using the LINAC at Hospital Sultan Ismail, Johor Bahru, Malaysia. It was found that the commercially available Al- and Ge-doped optical fibres have a linear dose-TL signal relationship. The intensity of TL response of Ge-doped fibre is markedly greater than that of the Al-doped fibre.

  11. Electron irradiation response on Ge and Al-doped SiO 2 optical fibres

    Science.gov (United States)

    Yaakob, N. H.; Wagiran, H.; Hossain, I.; Ramli, A. T.; Bradley, D. A.; Hashim, S.; Ali, H.

    2011-05-01

    This paper describes the thermoluminescence response, sensitivity, stability and reproducibility of SiO 2 optical fibres with various electron energies and doses. The TL materials that comprise Al- and Ge-doped silica fibres were used in this experiment. The TL results are compared with those of the commercially available TLD-100. The doped SiO 2 optical fibres and TLD-100 are placed in a solid phantom and irradiated with 6, 9 and 12 MeV electron beams at doses ranging from 0.2 to 4.0 Gy using the LINAC at Hospital Sultan Ismail, Johor Bahru, Malaysia. It was found that the commercially available Al- and Ge-doped optical fibres have a linear dose-TL signal relationship. The intensity of TL response of Ge-doped fibre is markedly greater than that of the Al-doped fibre.

  12. Electron irradiation response on Ge and Al-doped SiO2 optical fibres

    International Nuclear Information System (INIS)

    Yaakob, N.H.; Wagiran, H.; Hossain, I.; Ramli, A.T.; Bradley, D.A; Hashim, S.; Ali, H.

    2011-01-01

    This paper describes the thermoluminescence response, sensitivity, stability and reproducibility of SiO 2 optical fibres with various electron energies and doses. The TL materials that comprise Al- and Ge-doped silica fibres were used in this experiment. The TL results are compared with those of the commercially available TLD-100. The doped SiO 2 optical fibres and TLD-100 are placed in a solid phantom and irradiated with 6, 9 and 12 MeV electron beams at doses ranging from 0.2 to 4.0 Gy using the LINAC at Hospital Sultan Ismail, Johor Bahru, Malaysia. It was found that the commercially available Al- and Ge-doped optical fibres have a linear dose-TL signal relationship. The intensity of TL response of Ge-doped fibre is markedly greater than that of the Al-doped fibre.

  13. Electron magnetic resonance of gadolinium-doped calcium fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Biasi, R.S. de, E-mail: rsbiasi@ime.eb.br [Secao de Engenharia Mecanica e de Materiais, Instituto Militar de Engenharia, 22290-270 Rio de Janeiro, RJ (Brazil); Grillo, M.L.N., E-mail: mluciag@uerj.br [Instituto de Fisica, Universidade do Estado do Rio de Janeiro, 20550-013 Rio de Janeiro, RJ (Brazil)

    2012-06-15

    Electron magnetic resonance (EMR) spectra of gadolinium-doped calcium fluoride have been studied at room temperature for Gd concentrations between 0.01 and 2.00 mol%. Gd{sup 3+} ions in sites with two different symmetries were observed. One of the sites, with cubic symmetry, is unstable at room temperature and decays with a time constant of 2.2 day{sup -1}. The other site, with tetragonal symmetry, is stable and is attributed to Gd{sup 3+} ions in substitutional sites next to a charge-compensating F{sup -} interstitial ion. The linewidth and intensity of the EMR spectrum with tetragonal symmetry increase with increasing Gd concentration. A theoretical calculation based on the concentration dependence of the EMR linewidth yields an effective range of the exchange interaction between Gd{sup 3+} ions in CaF{sub 2} of 0.774 nm, of the same order as that of Gd{sup 3+} ions in other cubic ionic compounds.

  14. Electronic Structure and Optical Properties of Co and Fe doped ZnO

    Directory of Open Access Journals (Sweden)

    Li Chunping

    2016-01-01

    Full Text Available First-principle ultrasoft pseudo potential approach of the plane wave based on density functional theory has been used for studying the electronic characterization and optical properties of ZnO and Fe, Co doped ZnO. The results show that the doping impurities change the lattice parameters a little, but bring more changes in the electronic structures. The band gaps are broadened by doping. And the Fermi level accesses to the conduction band which will lead the system to show the character of metallic properties. The dielectric function and absorption peaks are identified and the changes compared to pure ZnO are analyzed in detail.

  15. Tuning magnetic critical behaviour in Ti-manganites by doping with vacancies in A-sites: Sr{sub 1-x}{open_square}{sub x}LaMnTiO{sub 6-{delta}} (0 < x {<=} 0.15)

    Energy Technology Data Exchange (ETDEWEB)

    Alonso-Dominguez, D., E-mail: danielad@quim.ucm.es [Dpto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Alvarez-Serrano, I. [Dpto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Cuello, G. [Institut Laue-Langevin, 6 rue Jules Horowitz, F-38042 Grenoble (France); Garcia-Hernandez, M. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas, E-28049 Cantoblanco, Madrid (Spain); Lopez, M.L.; Pico, C.; Veiga, M.L. [Dpto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain)

    2011-10-17

    Highlights: {yields} Pure polycrystalline powders of Sr{sub 1-x}{open_square}{sub x}LaMnTiO{sub 6-{delta}} perovskites have been synthesized by the liquid mix technique. {yields} X-ray and neutron diffraction data, together with HRTEM are interpreted in terms of tetragonal symmetry and S.G. I4/mcm, being all the cations located at random in each sublattice. {yields} Magnetization measurements show the existence of a frustrated behaviour, implying FM interactions at low temperatures, and semiconductor behaviour is observed in the whole temperature range explored. {yields} The introduction of vacancies in the A sites is connected to the stabilization of the Griffiths phase for x < 0.15, and an electronic model considering a cluster glass picture is proposed. - Abstract: Microcrystalline powders of Sr{sub 1-x}{open_square}{sub x}LaMnTiO{sub 6-{delta}} (0 {<=} x {<=} 0.15) perovskites have been synthesized by the sol-gel method. Structural characterization from neutron diffraction data shows tetragonal symmetry for all samples in the whole temperature range explored (5-700 K) and HRTEM analysis confirms it at the micro scale. Structural refinements suggest that Sr/La and Mn/Ti cations are placed at random in A and B sublattices, respectively, being the vacancies exclusively located on the former sites. Doping with vacancies in the A sites does not provoke any extra structural ordering or distortion but modifies the electronic scenario at the B-sites, leading to an enhancement of Griffiths phase as the amount of vacancies, x, increases. Semiconductor behaviour has been observed, without any transition to metallic state, with typical activation energies of 0.15 eV. The intrinsic magnetic frustrated behaviour is described in terms of a cluster-glass model.

  16. Magnetic and electrical transport properties of perovskite manganites Pr0.6Sr0.4MxMn1-xO3 (M = Fe, Co, Ni

    Directory of Open Access Journals (Sweden)

    X. S. Ge

    2017-12-01

    Full Text Available Powder samples of ABO3 perovskite manganites with the composition Pr0.6Sr0.4MxMn1-xO3 (M=Fe, Co, or Ni, 0.00≤x≤0.25 were synthesized using the sol-gel method. X-ray diffraction analyses showed that all three sets of samples had a single phase with an orthorhombic structure. The magnetic moment, μobs, of the samples at 10 K, decreased slowly for x≤0.10, whereas μobs decreased rapidly for x≥0.10. The dependences of μobs on the doping level x for the three series of samples were fitted successfully. In the fitting process, Mn, Fe, Co, and Ni cations were assumed to be trivalent, and the magnetic moment directions of Fe3+, Co3+, and Ni3+ cations were assumed to be canted antiferromagnetically coupled with Mn3+ cations. The cant angle ϕ decreased with the increase in x for x≤0.10 for Fe- and Ni-doped (x≤0.15 for Co-doped samples and increased rapidly when x≥0.10 (x≥0.15 for Co-doped samples. These properties are discussed using an oxygen 2p itinerant electron model, which is very similar to the oxygen 2p hole model proposed by Alexandrov et al. [Phys. Rev. Lett. 96, 117003 (2006].

  17. Ga vacancy induced ferromagnetism enhancement and electronic structures of RE-doped GaN

    International Nuclear Information System (INIS)

    Zhong Guohua; Zhang Kang; He Fan; Ma Xuhang; Lu Lanlan; Liu Zhuang; Yang Chunlei

    2012-01-01

    Because of their possible applications in spintronic and optoelectronic devices, GaN dilute magnetic semiconductors (DMSs) doped by rare-earth (RE) elements have attracted much attention since the high Curie temperature was obtained in RE-doped GaN DMSs and a colossal magnetic moment was observed in the Gd-doped GaN thin film. We have systemically studied the GaN DMSs doped by RE elements (La, Ce-Yb) using the full-potential linearized augmented plane wave method within the framework of density functional theory and adding the considerations of the electronic correlation and the spin-orbital coupling effects. We have studied the electronic structures of DMSs, especially for the contribution from f electrons. The origin of magnetism, magnetic interaction and the possible mechanism of the colossal magnetic moment were explored. We found that, for materials containing f electrons, electronic correlation was usually strong and the spin-orbital coupling was sometimes crucial in determining the magnetic ground state. It was found that GaN doped by La was non-magnetic. GaN doped by Ce, Nd, Pm, Eu, Gd, Tb and Tm are stabilized at antiferromagnetic phase, while GaN doped by other RE elements show strong ferromagnetism which is suitable materials for spintronic devices. Moreover, we have identified that the observed large enhancement of magnetic moment in GaN is mainly caused by Ga vacancies (3.0μB per Ga vacancy), instead of the spin polarization by magnetic ions or originating from N vacancies. Various defects, such as substitutional Mg for Ga, O for N under the RE doping were found to bring a reduction of ferromagnetism. In addition, intermediate bands were observed in some systems of GaN:RE and GaN with intrinsic defects, which possibly opens the potential application of RE-doped semiconductors in the third generation high efficiency photovoltaic devices.

  18. Electronic Interactions of n-Doped Perylene Diimide Groups Appended to Polynorbornene Chains: Implications for Electron Transport in Organic Electronics.

    Science.gov (United States)

    Nguyen, Minh T; Biberdorf, Joshua D; Holliday, Bradley J; Jones, Richard A

    2017-11-01

    A polymer consisting of a polynorbornene backbone with perylene diimide (PDI) pendant groups on each monomeric unit is synthesized via ring opening metathesis polymerization. The PDI pendant groups along the polymer backbone, studied by UV-vis absorption, fluorescence emission, and electron paramagnetic resonance spectroscopy in addition to electrochemical methods, show evidence of molecular aggregation and corresponding electronic coupling with neighboring groups, which forms pathways for efficient electron transport from one group to another in a specific reduced form. When n-doped, the title polymer shows redox conductivity of 5.4 × 10 -3 S cm -1 , comparable with crystalline PDI materials, and is therefore a promising material for use in organic electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Electronic properties of BN-doped bilayer graphene and graphyne in the presence of electric field

    Science.gov (United States)

    Majidi, R.; Karami, A. R.

    2013-11-01

    In the present paper, we have used density functional theory to study electronic properties of bilayer graphene and graphyne doped with B and N impurities in the presence of electric field. It has been demonstrated that a band gap is opened in the band structures of the bilayer graphene and graphyne by B and N doping. We have also investigated influence of electric field on the electronic properties of BN-doped bilayer graphene and graphyne. It is found that the band gaps induced by B and N impurities are increased by applying electric field. Our results reveal that doping with B and N, and applying electric field are an effective method to open and control a band gap which is useful to design carbon-based next-generation electronic devices.

  20. Nonplasmonic Hot-Electron Photocurrents from Mn-Doped Quantum Dots in Photoelectrochemical Cells.

    Science.gov (United States)

    Dong, Yitong; Rossi, Daniel; Parobek, David; Son, Dong Hee

    2016-03-03

    We report the measurement of the hot-electron current in a photoelectrochemical cell constructed from a glass/ITO/Al2 O3 (ITO=indium tin oxide) electrode coated with Mn-doped quantum dots, where hot electrons with a large excess kinetic energy were produced through upconversion of the excitons into hot electron hole pairs under photoexcitation at 3 eV. In our recent study (J. Am. Chem. Soc. 2015, 137, 5549), we demonstrated the generation of hot electrons in Mn-doped II-VI semiconductor quantum dots and their usefulness in photocatalytic H2 production reaction, taking advantage of the more efficient charge transfer of hot electrons compared with band-edge electrons. Here, we show that hot electrons produced in Mn-doped CdS/ZnS quantum dots possess sufficient kinetic energy to overcome the energy barrier from a 5.4-7.5 nm thick Al2 O3 layer producing a hot-electron current in photoelectrochemical cell. This work demonstrates the possibility of harvesting hot electrons not only at the interface of the doped quantum dot surface, but also far away from it, thus taking advantage of the capability of hot electrons for long-range electron transfer across a thick energy barrier. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Magnetic and electrical response of Co-doped La{sub 0.7}Ca{sub 0.3}MnO{sub 3} manganites/insulator system

    Energy Technology Data Exchange (ETDEWEB)

    Debnath, J.C., E-mail: Jyotish.debnath@deakin.edu.au [Institute for Frontier Materials, Deakin University, Geelong, VIC 3216 (Australia); Wang, Jianli, E-mail: jcd341@uowmail.edu.au [Institute for Superconductivity and Electronic Materials, University of Wollongong, Wollongong, NSW 2522 (Australia)

    2017-01-01

    We present a systematic study of the structural, magnetic and electrical properties of La{sub 0.7}Ca{sub 0.3}MnO{sub 3} (LCMO) and La{sub 0.7}Ca{sub 0.3}Mn{sub 0.95}Co{sub 0.05}O{sub 3} (LCMCO0 perovskite manganites. Most of the work is devoted to the electrical properties with a thorough discussion about different models for both the metallic and insulator states. With a view to understand the conduction mechanism in these materials, the resistivity of both materials was measured over a temperature range 5–300 K and in a magnetic field up to 1 T and the data were analysed by using several theoretical models. It has been observed that the metallic part of the temperature dependent resistivity (ρ) curve fits well with ρ=ρ{sub 0} +ρ{sub 2,5}Τ{sup 2,5}, indicating the electron–magnon scattering processes in the conduction of these materials. On the other hand, in the high temperature paramagnetic insulating regime, the adiabatic small polaron and VRH models fit well, thereby indicating that polaron hopping might be responsible for the conduction mechanism.

  2. Structural, electronic and magnetic properties of carbon doped boron nitride nanowire: Ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Jalilian, Jaafar, E-mail: JaafarJalilian@gmail.com [Young Researchers and Elite Club, Kermanshah Br anch, Islamic Azad University, P.O. Box: 6718997551, Kermanshah (Iran, Islamic Republic of); Kanjouri, Faramarz, E-mail: kanjouri@khu.ac.ir [Physics Department, Faculty of Science, Kharazmi University, University Square, P.O. Box: 3197937551, Karaj (Iran, Islamic Republic of)

    2016-11-15

    Using spin-polarized density functional theory calculations, we demonstrated that carbon doped boron nitride nanowire (C-doped BNNW) has diverse electronic and magnetic properties depending on position of carbon atoms and their percentages. Our results show that only when one carbon atom is situated on the edge of the nanowire, C-doped BNNW is transformed into half-metal. The calculated electronic structure of the C-doped BNNW suggests that doping carbon can induce localized edge states around the Fermi level, and the interaction among localized edge states leads to semiconductor to half-metal transition. Overall, the bond reconstruction causes of appearance of different electronic behavior such as semiconducting, half-metallicity, nonmagnetic metallic, and ferromagnetic metallic characters. The formation energy of the system shows that when a C atom is doped on surface boron site, system is more stable than the other positions of carbon impurity. Our calculations show that C-doped BNNW may offer unique opportunities for developing nanoscale spintronic materials.

  3. The investigation of Ce doped ZnO crystal: The electronic, optical and magnetic properties

    Science.gov (United States)

    Wen, Jun-Qing; Zhang, Jian-Min; Qiu, Ze-Gang; Yang, Xu; Li, Zhi-Qin

    2018-04-01

    The electronic, optical and magnetic properties of Ce doped ZnO crystal have been studied by using first principles method. The research of formation energies show that Ce doped ZnO is energetically stable, and the formation energies reduce from 6.25% to 12.5% for Ce molar percentage. The energy band is still direct band gap after Ce doped, and band gap increases with the increase of Cesbnd Ce distance. The Fermi level moves upward into conduction band and the DOS moves to lower energy with the increase of Ce concentration, which showing the properties of n-type semiconductor. The calculated optical properties imply that Ce doped causes a red-shift of absorption peaks, and enhances the absorption of the visible light. The transition from ferromagnetic to antiferromagnetic has been found in Ce doped ZnO.

  4. Electron Tunneling in Junctions Doped with Semiconductors and Metals.

    Science.gov (United States)

    Bell, Lloyd Douglas, II

    In this study, tunnel junctions incorporating thin layers of semiconductors and metals have been analyzed. Inelastic electron tunneling spectroscopy (IETS) was employed to yield high-resolution vibrational spectra of surface species deposited at the oxide-M_2 interface of M_1-M_1O _{rm x}-M _2 tunneling samples. Analysis was also performed on the elastic component of the tunneling current, yielding information on the tunnel barrier shape. The samples in this research exhibit a wide range of behavior. The IETS for Si, SiO_2, and Ge doped samples show direct evidence of SiH _{rm x} and GeH_ {rm x} formation. The particular species formed is shown to depend on the form of the evaporated dopant. Samples were also made with organic dopants deposited over the evaporated dopants. Many such samples show marked effects of the evaporated dopants on the inelastic peak intensities of the organic dopants. These alterations are correlated with the changed reactivity of the oxide surface coupled with a change in the OH dipole layer density on the oxide. Thicker organic dopant layers cause large changes in the elastic tunneling barrier due to OH layer alterations or the low barrier attributes of the evaporated dopant. In the cases of the thicker layers an extra current-carrying mechanism is shown to be contributing. Electron ejection from charge traps is proposed as an explanation for this extra current. The trend of barrier shape with dopant thickness is examined. Many of these dopants also produce a voltage-induced shift in the barrier shape which is stable at low temperature but relaxes at high temperature. This effect is similar to that produced by certain organic dopants and is explained by metastable bond formation between the surface OH and dopant. Other dopants, such as Al, Mg, and Fe, produce different effects. These dopants cause large I-V nonlinearity at low voltages. This nonlinearity is modeled as a giant zero-bias anomaly (ZBA) and fits are presented which show good

  5. Investigation of electronic phase segregation in La0.75Ca0.15Sr0.10MnO3 manganite

    DEFF Research Database (Denmark)

    Venkatesh, R.; Venkateshwarlu, D.; Pryds, Nini

    2014-01-01

    % in an applied magnetic field of 12T and 15% in 1T with a broad working range of 18K around 300K which is beneficial for room temperature colossal magnetoresistance (CMR) applications. The broad transition in temperature dependent zero field resistivity measurement is analyzed in the light of percolation model......The effect of electronic phase segregation in a broad metal-Insulator transition (MIT) observed in La0.75Ca0.25-xSrxMnO3 (x=0.1) composition is investigated using heat capacity, magnetization, electrical resistivity and magnetoresistance measurements. The negative magnetoresistance of 65...... indicates the abundance of insulating/metallic clusters in metallic/insulating region. A significant difference between the metallic fraction around the MIT and the ferromagnetic phases observed around the Curie temperature demonstrates the interplay between volume of itinerant and polaronic electronic...

  6. Thermal transport in cuprates, cobaltates, and manganites

    International Nuclear Information System (INIS)

    Berggold, K.

    2006-09-01

    The subject of this thesis is the investigation of the thermal transport properties of three classes of transition-metal oxides: Cuprates, cobaltates, and manganites. The layered cuprates R 2 CuO 4 with R=La, Pr, Nd, Sm, Eu, and Gd show an anomalous thermal conductivity κ. Two maxima of κ are observed as a function of temperature for a heat current within the CuO 2 planes, whereas for a heat current perpendicular to the CuO 2 planes only a conventional phononic low-temperature maximum of κ is present. Evidence is provided that the high-temperature maximum is caused by heat-carrying excitations on the CuO 2 square lattice. Moreover, it is shown that the complex low-temperature and magnetic-field behavior of κ in Nd 2 CuO 4 is most likely caused by additional phonon scattering rather than by heat-carrying Nd magnons, as it was proposed in the literature. In the cobaltates RCoO 3 with R=La, Pr, Nd, and Eu, a temperature-induced spin-state transition of the Co 3+ ions occurs. It is shown that the additional lattice disorder caused by the random distribution of populated higher spin states causes a large suppression of the thermal conductivity of LaCoO 3 for T>25 K. The effect is much weaker in PrCoO 3 and NdCoO 3 due to the increased spin gap. A quantitative analysis of the responsible mechanisms based on EuCoO 3 as a reference compound is provided. A main result is that the static disorder is sufficient to explain the suppression of κ. No dynamical Jahn-Teller distortion, as proposed in the literature, is necessary to enhance the scattering strength. Below 25 K, k is mainly determined by resonant phonon scattering on paramagnetic impurity levels, e.g. caused by oxygen non-stoichiometry. Such a suppression of the thermal conductivity by resonant scattering processes is e.g. known from Holmium ethylsulfate. This effect is most pronounced in LaCoO 3 , presumably due to magnetic polaron formation. In the doped compounds La 1-x Sr x CoO 3 with 0≤x≤0.25, a large

  7. Thermal transport in cuprates, cobaltates, and manganites

    Energy Technology Data Exchange (ETDEWEB)

    Berggold, K.

    2006-09-15

    magnetic polaron formation. In the doped compounds La{sub 1-x}Sr{sub x}CoO{sub 3} with 0{<=}x{<=}0.25, a large thermopower, a low thermal conductivity, and a considerable large thermoelectric figure of merit is found. Here, {kappa} is strongly suppressed by the Sr-induced magnetic polarons, whereas the large thermopower arises from a large entropy contribution due to the different spin states of Co{sup 3+} and Co{sup 4+}. In the orthorhombic manganites NdMnO{sub 3} and TbMnO{sub 3} complex temperature and field dependencies of {kappa} are observed. In combination with magnetic-field dependent thermal expansion measurements it is shown that the dominating effect determining {kappa} is resonant phonon scattering by the 4f orbitals of the R{sup 3+} ions. The complicated magnetic structure of TbMnO{sub 3} at low temperature as well as the ferroelectricity has only a minor influence on the thermal conductivity. (orig.)

  8. Electronic structure of graphene nanoribbons doped with nitrogen atoms: a theoretical insight.

    Science.gov (United States)

    Torres, A E; Fomine, S

    2015-04-28

    The electronic structure of graphene nanoribbons doped with a graphitic type of nitrogen atoms has been studied using B3LYP, B2PLYP and CAS methods. In all but one case the restricted B3LYP solutions were unstable and the CAS calculations provided evidence for the multiconfigurational nature of the ground state with contributions from two dominant configurations. The relative stability of the doped nanoribbons depends mostly on the mutual position of the dopant atoms and notably less on the position of nitrogen atoms within the nanoribbon. N-graphitic doping affects cationic states much more than anionic ones due the participation of the nitrogen atoms in the stabilization of the positive charge, resulting in a drop in ionization energies (IPs) for N-graphitic doped systems. Nitrogen atoms do not participate in the negative charge stabilization of anionic species and, therefore, the doping does not affect the electron affinities (EAs). The unrestricted B3LYP method is the method of choice for the calculation of IPs and EAs. Restricted B3LYP and B2PLYP produces unreliable results for both IPs and EAs while CAS strongly underestimates the electron affinities. This is also true for the reorganization energies where restricted B3LYP produces qualitatively incorrect results. Doping changes the reorganization energy of the nanoribbons; the hole reorganization energy is generally higher than the corresponding electron reorganization energy due to the participation of nitrogen atoms in the stabilization of the positive charge.

  9. Structural, magnetic and electronic structure properties of Co doped ZnO nanoparticles

    International Nuclear Information System (INIS)

    Kumar, Shalendra; Song, T.K.; Gautam, Sanjeev; Chae, K.H.; Kim, S.S.; Jang, K.W.

    2015-01-01

    Highlights: • XRD and HR-TEM results show the single phase nature of Co doped ZnO nanoparticles. • XMCD and dc magnetization results indicate the RT-FM in Co doped ZnO nanoparticles. • Co L 3,2 NEXAFS spectra infer that Co ions are in 2+ valence state. • O K edge NEXAFS spectra show that O vacancy increases with Co doping in ZnO. - Abstract: We reported structural, magnetic and electronic structure studies of Co doped ZnO nanoparticles. Doping of Co ions in ZnO host matrix has been studied and confirmed using various methods; such as X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersed X-ray (EDX), high resolution transmission electron microscopy (HR-TEM), Fourier transform infrared spectroscopy (FT-IR), near edge X-ray absorption fine structure (NEXAFS) spectroscopy, magnetic hysteresis loop measurements and X-ray magnetic circular dichroism (XMCD). From the XRD and HR-TEM results, it is observed that Co doped ZnO nanoparticles have single phase nature with wurtzite structure and exclude the possibility of secondary phase formation. FE-SEM and TEM micrographs show that pure and Co doped nanoparticles are nearly spherical in shape. O K edge NEXAFS spectra indicate that O vacancies increase with Co doping. The Co L 3,2 edge NEXAFS spectra revealed that Co ions are in 2+ valence state. DC magnetization hysteresis loops and XMCD results clearly showed the intrinsic origin of temperature ferromagnetism in Co doped ZnO nanoparticles

  10. Crystal and electronic structure study of Mn doped wurtzite ZnO nanoparticles

    Directory of Open Access Journals (Sweden)

    O.M. Ozkendir

    2016-08-01

    Full Text Available The change in the crystal and electronic structure properties of wurtzite ZnO nanoparticles was studied according to Mn doping in the powder samples. The investigations were conducted by X-ray Absorption Fine Structure Spectroscopy (XAFS technique for the samples prepared with different heating and doping processes. Electronic analysis was carried out by the collected data from the X-ray Absorption Near-Edge Structure Spectroscopy (XANES measurements. Additional crystal structure properties were studied by Extended-XAFS (EXAFS analysis. Longer heating periods for the undoped wurtzite ZnO samples were determined to own stable crystal geometries. However, for some doped samples, the distortions in the crystal were observed as a result of the low doping amounts of Mn which was treated as an impurity. Besides, the changes in oxygen locations were determined to create defects and distortions in the samples.

  11. Tuning electronic properties of In2O3 nanowires by doping control

    International Nuclear Information System (INIS)

    Lei, B.; Li, C.; Zhang, D.; Tang, D.; Zhou, C.

    2004-01-01

    We present two effective routes to tune the electronic properties of single-crystalline In 2 O 3 nanowires by controlling the doping. The first method involves using different O 2 concentrations during the synthesis. Lightly (heavily) doped nanowires were produced by using high (low) O 2 concentrations, respectively, as revealed by the conductances and threshold voltages of nanowire-based field-effect transistors. Our second method exploits post-synthesis baking, as baking heavily doped nanowires in ambient air led to suppressed conduction and a positive shift of the threshold voltage, whereas baking lightly doped nanowires in vacuum displayed the opposite behavior. Our approaches offer viable ways to tune the electronic properties of many nonstoichiometric metal oxide systems such as In 2 O 3 , SnO 2 , and ZnO nanowires for various applications

  12. First Principles Study of Electronic and Magnetic Properties of Co-Doped Armchair Graphene Nanoribbons

    Directory of Open Access Journals (Sweden)

    Biao Li

    2015-01-01

    Full Text Available Using the first principles calculations, we have studied the atomic and electronic structures of single Co atom incorporated with divacancy in armchair graphene nanoribbon (AGNR. Our calculated results show that the Co atom embedded in AGNR gives rise to significant impacts on the band structures and the FM spin configuration is the ground state. The presence of the Co doping could introduce magnetic properties. The calculated results revealed the arising of spin gapless semiconductor characteristics with doping near the edge in both ferromagnetic (FM and antiferromagnetic (AFM magnetic configurations, suggesting the robustness for potential application of spintronics. Moreover, the electronic structures of the Co-doped AGNRs are strongly dependent on the doping sites and the edge configurations.

  13. Electronic structure, magnetic and structural properties of Ni doped ZnO nanoparticles

    International Nuclear Information System (INIS)

    Kumar, Shalendra; Vats, Prashant; Gautam, S.; Gupta, V.P.; Verma, K.D.; Chae, K.H.; Hashim, Mohd; Choi, H.K.

    2014-01-01

    Highlights: • XRD, and HR-TEM results show the single phase nature of Ni doped ZnO nanoparticles. • dc magnetization results indicate the RT-FM in Ni doped ZnO nanoparticles. • Ni L 3,2 edge NEXAFS spectra infer that Ni ions are in +2 valence state. • O K edge NEXAFS spectra show that O vacancy increases with Ni doping in ZnO. - Abstract: We report structural, magnetic and electronic structural properties of Ni doped ZnO nanoparticles prepared by auto-combustion method. The prepared nanoparticles were characterized by using X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), near edge X-ray absorption fine structure (NEXAFS) spectroscopy, and dc magnetization measurements. The XRD and HR-TEM results indicate that Ni doped ZnO nanoparticles have single phase nature with wurtzite lattice and exclude the presence of secondary phase. NEXAFS measurements performed at Ni L 3,2 -edges indicates that Ni ions are in +2 valence state and exclude the presence of Ni metal clusters. O K-edge NEXAFS spectra indicate an increase in oxygen vacancies with Ni-doping, while Zn L 3,2 -edge show the absence of Zn-vacancies. The magnetization measurements performed at room temperature shows that pure and Ni doped ZnO exhibits ferromagnetic behavior

  14. Structural, electronic properties, and quantum capacitance of B, N and P-doped armchair carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi-Khoshdel, S. Morteza, E-mail: mmousavi@iust.ac.ir [Department of Chemistry, Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Jahanbakhsh-bonab, Parisa [Department of Chemistry, Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Targholi, Ehsan [Young Researchers and Elite Club, Abhar Branch, Islamic Azad University, Abhar (Iran, Islamic Republic of)

    2016-10-07

    Using DFT calculations, we study the structural parameters, electronic properties and quantum capacitance of N, B, and P-doped armchair carbon nanotubes (CNTs). Fermi level shifts towards conduction band and valence band in N- and B-doped CNTs, respectively. While in the case of P atom, despite having an extra valence electron than carbon, there is no shift in Fermi level. The results revealed from a symmetric capacitance enhancement in P-doped CNT and an asymmetric capacitance enhancement in B and N-doped CNTs. The greatest amount of quantum capacitance of N-doped (6, 6) CNT could be achieved at the concentration range of 0.1–0.15. - Highlights: • Exploration of variation in quantum capacitance of CNTs through doping N, B and P atoms. • Quantum capacitance of CNTs is sensitive to impurities entered in carbon nanotubes. • Maximum quantum capacitance of N-doped CNTs is achieved at the concentration range of 0.1–0.15.

  15. Electronic correlations in hole- and electron-doped Fe-based superconductors

    Science.gov (United States)

    Hardy, Frederic; Boehmer, Anna; Schweiss, Peter; Wolf, Thomas; Heid, Rolf; Eder, Robert; Fisher, Robert A.; Meingast, Christoph

    2015-03-01

    High-temperature superconductivity in the cuprates occurs at the crossover from a highly-correlated Mott insulating state to a weaker correlated Fermi liquid as a function of hole doping. The iron pnictides were initially thought to be fairly weakly correlated. However, we have recently shown using transport and thermodynamic measurements that KFe2As2 is strongly correlated. Both the Sommerfeld coefficient and the Pauli susceptibility are strongly enhanced with respect to their bare DFT values. These correlations are even further enhanced in RbFe2As2andCsFe2As2. The temperature dependence of both the susceptibility and the thermal expansion provides strong experimental evidence for the existence of a coherence-incoherence crossover; similar to what is found in heavy-fermion compounds. Whereas the correlations in the cuprates result from a large value of the Hubbard U, recent works have stressed the particular relevance of Hund's coupling in the pnictides. Our data may be interpreted in terms of a close proximity of KFe2As2 to an orbital-selective Mott transition. We now have good thermodynamic data covering both the hole and electron sides of the BaFe2As2 system and we will discuss how these correlations are modified by doping.

  16. Al-doped MgB_2 materials studied using electron paramagnetic resonance and Raman spectroscopy

    International Nuclear Information System (INIS)

    Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan

    2016-01-01

    Undoped and aluminum (Al) doped magnesium diboride (MgB_2) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB_2 samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB_2. Above a certain level of Al doping, enhanced conductive properties of MgB_2 disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

  17. Transport anomalies and quantum criticality in electron-doped cuprate superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xu; Yu, Heshan; He, Ge; Hu, Wei; Yuan, Jie; Zhu, Beiyi [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Jin, Kui, E-mail: kuijin@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100190 (China)

    2016-06-15

    Highlights: • Electrical transport and its complementary thermal transport on electron-doped cuprates are reviewed. • The common features of electron-doped cuprates are sorted out and shown in the last figure. • The complex superconducting fluctuations and quantum fluctuations are distinguished. - Abstract: Superconductivity research is like running a marathon. Three decades after the discovery of high-T{sub c} cuprates, there have been mass data generated from transport measurements, which bring fruitful information. In this review, we give a brief summary of the intriguing phenomena reported in electron-doped cuprates from the aspect of electrical transport as well as the complementary thermal transport. We attempt to sort out common features of the electron-doped family, e.g. the strange metal, negative magnetoresistance, multiple sign reversals of Hall in mixed state, abnormal Nernst signal, complex quantum criticality. Most of them have been challenging the existing theories, nevertheless, a unified diagram certainly helps to approach the nature of electron-doped cuprates.

  18. Interlayer magnetotransport study in electron-doped Sm2 ...

    Indian Academy of Sciences (India)

    On cooling, the -axis resistivity ρc of the mesa structures reveals a semiconductive upturn above c, followed by a sharp superconducting transition at 20 K. When the magnetic field is applied along the -axis, ρc() shows a parallel shift without significant broadening, as also observed in the hole-doped underdoped ...

  19. Spin polarization of electrons in a magnetic impurity doped ...

    Indian Academy of Sciences (India)

    Abstract. A theoretical model is presented in this paper for degree of spin polarization in a light emitting diode (LED) whose epitaxial region contains quantum dots doped with magnetic impurity. The model is then used to investigate the effect of electron–phonon interaction on degree of spin polarization at different ...

  20. Spin polarization of electrons in a magnetic impurity doped ...

    Indian Academy of Sciences (India)

    A theoretical model is presented in this paper for degree of spin polarization in alight emitting diode (LED) whose epitaxial region contains quantum dots doped with magnetic impurity. The model is then used to investigate the effect of electron–phonon interaction on degree of spin polarization at different temperatures and ...

  1. Ferromagnetic semiconductor-metal transition in heterostructures of electron doped europium monoxide

    International Nuclear Information System (INIS)

    Stollenwerk, Tobias

    2013-09-01

    In the present work, we develop and solve a self-consistent theory for the description of the simultaneous ferromagnetic semiconductor-metal transition in electron doped Europium monoxide. We investigate two different types of electron doping, Gadolinium impurities and Oxygen vacancies. Besides the conduction band occupation, we can identify low lying spin fluctuations on magnetic impurities as the driving force behind the doping induced enhancement of the Curie temperature. Moreover, we predict the signatures of these magnetic impurities in the spectra of scanning tunneling microscope experiments. By extending the theory to allow for inhomogeneities in one spatial direction, we are able to investigate thin films and heterostructures of Gadolinium doped Europium monoxide. Here, we are able to reproduce the experimentally observed decrease of the Curie temperature with the film thickness. This behavior is attributed to missing coupling partners of the localized 4f moments as well as to an electron depletion at the surface which leads to a reduction of the number of itinerant electrons. By investigating the influence of a metallic substrate onto the phase transition in Gadolinium doped Europium monoxide, we find that the Curie temperature can be increased up to 20%. However, as we show, the underlying mechanism of metal-interface induced charge carrier accumulation is inextricably connected to a suppression of the semiconductor-metal transition.

  2. Ferromagnetic semiconductor-metal transition in heterostructures of electron doped europium monoxide

    Energy Technology Data Exchange (ETDEWEB)

    Stollenwerk, Tobias

    2013-09-15

    In the present work, we develop and solve a self-consistent theory for the description of the simultaneous ferromagnetic semiconductor-metal transition in electron doped Europium monoxide. We investigate two different types of electron doping, Gadolinium impurities and Oxygen vacancies. Besides the conduction band occupation, we can identify low lying spin fluctuations on magnetic impurities as the driving force behind the doping induced enhancement of the Curie temperature. Moreover, we predict the signatures of these magnetic impurities in the spectra of scanning tunneling microscope experiments. By extending the theory to allow for inhomogeneities in one spatial direction, we are able to investigate thin films and heterostructures of Gadolinium doped Europium monoxide. Here, we are able to reproduce the experimentally observed decrease of the Curie temperature with the film thickness. This behavior is attributed to missing coupling partners of the localized 4f moments as well as to an electron depletion at the surface which leads to a reduction of the number of itinerant electrons. By investigating the influence of a metallic substrate onto the phase transition in Gadolinium doped Europium monoxide, we find that the Curie temperature can be increased up to 20%. However, as we show, the underlying mechanism of metal-interface induced charge carrier accumulation is inextricably connected to a suppression of the semiconductor-metal transition.

  3. Phase engineering of monolayer transition-metal dichalcogenide through coupled electron doping and lattice deformation

    International Nuclear Information System (INIS)

    Ouyang, Bin; Lan, Guoqiang; Song, Jun; Guo, Yinsheng; Mi, Zetian

    2015-01-01

    First-principles calculations were performed to investigate the phase stability and transition within four monolayer transition-metal dichalcogenide (TMD) systems, i.e., MX 2 (M = Mo or W and X = S or Se) under coupled electron doping and lattice deformation. With the lattice distortion and electron doping density treated as state variables, the energy surfaces of different phases were computed, and the diagrams of energetically preferred phases were constructed. These diagrams assess the competition between different phases and predict conditions of phase transitions for the TMDs considered. The interplay between lattice deformation and electron doping was identified as originating from the deformation induced band shifting and band bending. Based on our findings, a potential design strategy combining an efficient electrolytic gating and a lattice straining to achieve controllable phase engineering in TMD monolayers was demonstrated

  4. The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study

    International Nuclear Information System (INIS)

    Rout, G C; Panda, Saswati; Behera, S N

    2011-01-01

    We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e g band. The relaxation time of the e g electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e g electron band splitting and its effect on magnetoresistivity is reported here. (paper)

  5. The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G C [Condensed Matter Physics Group, P G Department of Applied Physics and Ballistics, F M University, Balasore 756 019 (India); Panda, Saswati [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India); Behera, S N, E-mail: gcr@iopb.res.in, E-mail: saswatip7@gmail.com [National Institute of Science and Technology, Palur Hills, Berhampur 761 008 (India)

    2011-10-05

    We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e{sub g} band. The relaxation time of the e{sub g} electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e{sub g} electron band splitting and its effect on magnetoresistivity is reported here. (paper)

  6. A computational study on the electronic and field emission properties of Mg and Si doped AlN nanocones

    Science.gov (United States)

    Saedi, Leila; Soleymanabadi, Hamed; Panahyab, Ataollah

    2018-05-01

    Following an experimental work, we explored the effect of replacing an Al atom of an AlN nanocone by Si or Mg atom on its electronic and field emission properties using density functional theory calculations. We found that both Si-doping and Mg-doping increase the electrical conductivity of AlN nanocone, but their influences on the filed emission properties are significantly different. The Si-doping increases the electron concentration of AlN nanocone and results in a large electron mobility and a low work function, whereas Mg-doping leads to a high hole concentration below the conduction level and increases the work function in agreement with the experimental results. It is predicted that Si-doped AlN nanocones show excellent filed emission performance with higher emitted electron current density compared to the pristine AlN nanocone. But the Mg-doping meaningfully decreases the emitted electron current density from the surface of AlN nanocone. The Mg-doping can increase the work function about 41.9% and the Si-doping can decrease it about 6.3%. The Mg-doping and Si-doping convert the AlN nanocone to a p-type and n-type semiconductors, respectively. Our results explain in a molecular level what observed in the experiment.

  7. Electronic structures and valence band splittings of transition metals doped GaNs

    International Nuclear Information System (INIS)

    Lee, Seung-Cheol; Lee, Kwang-Ryeol; Lee, Kyu-Hwan

    2007-01-01

    For a practical viewpoint, presence of spin splitting of valence band in host semiconductors by the doping of transition metal (TM) ions is an essential property when designing a diluted magnetic semiconductors (DMS) material. The first principle calculations were performed on the electronic and magnetic structure of 3d transition metal doped GaN. V, Cr, and Mn doped GaNs could not be candidates for DMS materials since most of their magnetic moments is concentrated on the TM ions and the splittings of valence band were negligible. In the cases of Fe, Co, Ni, and Cu doped GaNs, on the contrary, long-ranged spin splitting of valence band was found, which could be candidates for DMS materials

  8. Electronic structures of N- and C-doped NiO from first-principles calculations

    International Nuclear Information System (INIS)

    Long, Run; English, Niall J.; Mooney, Damian A.

    2010-01-01

    The large intrinsic band gap of NiO has hindered severely its potential application under visible-light irradiation. In this Letter, we have performed first-principles calculations on the electronic properties of N- and C-doped NiO to ascertain if its band gap may be narrowed theoretically. It was found that impurity bands driven by N 2p or C 2p states appear in the band gap of NiO and that some of these locate at the conduction band minimum, which leads to a significant band gap narrowing. Our results show that N-doped NiO may serve as a potential photocatalyst relative to C-doped NiO, due to the presence of some recombination centres in C-doped NiO.

  9. Unravelling the interplay of geometrical, magnetic and electronic properties of metal-doped graphene nanomeshes

    KAUST Repository

    Fadlallah, Mohamed M.

    2016-12-02

    Graphene nanomeshes (GNMs), formed by creating a superlattice of pores in graphene, possess rich physical and chemical properties. Many of these properties are determined by the pore geometry. In this work, we use first principles calculations to study the magnetic and electronic properties of metal-doped nitrogen-passivated GNMs. We find that the magnetic behaviour is dependent on the pore shape (trigonal versus hexagonal) as dictated by the number of covalent bonds formed between the 3d metal and the passivating N atoms. We also find that Cr and V doped trigonal-pore GNMs, and Ti doped GNMs are the most favourable for spintronic applications. The calculated magnetic properties of Fe-doped GNMs compare well with recent experimental observations. The studied systems are useful as spin filters and chemical sensors.

  10. Electronic structure and magnetism in transition metals doped 8-hydroxy-quinoline aluminum.

    Science.gov (United States)

    Baik, Jeong Min; Shon, Yoon; Lee, Seung Joo; Jeong, Yoon Hee; Kang, Tae Won; Lee, Jong-Lam

    2008-10-15

    We report the room-temperature ferromagnetism in transition metals (Co, Ni)-doped 8-hydroxy-quinoline aluminum (Alq3) by thermal coevaporation of high purity metal and Alq3 powders. For 5% Co-doped Alq3, a maximum magnetization of approximately 0.33 microB/Co at 10 K was obtained and ferromagnetic behavior was observed up to 300 K. The Co atoms interact chemically with O atoms and provide electrons to Alq3, forming new states acting as electron trap sites. From this, it is suggested that ferromagnetism may be associated with the strong chemical interaction of Co atoms and Alq3 molecules.

  11. Tuning the metal-insulator transition in manganite films through surface exchange coupling with magnetic nanodots.

    Science.gov (United States)

    Ward, T Z; Gai, Z; Xu, X Y; Guo, H W; Yin, L F; Shen, J

    2011-04-15

    In strongly correlated electronic systems, the global transport behavior depends sensitively on spin ordering. We show that spin ordering in manganites can be controlled by depositing isolated ferromagnetic nanodots at the surface. The exchange field at the interface is tunable with nanodot density and makes it possible to overcome dimensionality and strain effects in frustrated systems to greatly increasing the metal-insulator transition and magnetoresistance. These findings indicate that electronic phase separation can be controlled by the presence of magnetic nanodots.

  12. Electric field tuning of phase separation in manganite thin films

    KAUST Repository

    Lourembam, James; Wu, Jianchun; Ding, Junfeng; Lin, Weinan; Wu, Tao

    2014-01-01

    In this paper, we investigate the electric field effect on epitaxial Pr0.65(Ca0.75Sr0.25)0.35MnO3 thin films in electric double-layer transistors. Different from the conventional transistors with semiconducting channels, the sub(micrometer)-scale phase separation in the manganite channels is expected to result in inhomogeneous distribution of mobile carriers and local enhancement of electric field. The field effect is much larger in the low-temperature phase separation region compared to that in the high-temperature polaron transport region. Further enhancement of electroresistance is achieved by applying a magnetic field, and a 250% modulation of resistance is observed at 80 K, equivalent to an increase of the ferromagnetic metallic phase fraction by 0.51%, as estimated by the general effective medium model. Our results illustrate the complementary nature of electric and magnetic field effects in phase-separated manganites, providing insights on such novel electronic devices based on complex oxides.

  13. Electric field tuning of phase separation in manganite thin films

    KAUST Repository

    Lourembam, James

    2014-01-29

    In this paper, we investigate the electric field effect on epitaxial Pr0.65(Ca0.75Sr0.25)0.35MnO3 thin films in electric double-layer transistors. Different from the conventional transistors with semiconducting channels, the sub(micrometer)-scale phase separation in the manganite channels is expected to result in inhomogeneous distribution of mobile carriers and local enhancement of electric field. The field effect is much larger in the low-temperature phase separation region compared to that in the high-temperature polaron transport region. Further enhancement of electroresistance is achieved by applying a magnetic field, and a 250% modulation of resistance is observed at 80 K, equivalent to an increase of the ferromagnetic metallic phase fraction by 0.51%, as estimated by the general effective medium model. Our results illustrate the complementary nature of electric and magnetic field effects in phase-separated manganites, providing insights on such novel electronic devices based on complex oxides.

  14. The Control of Anisotropic Transport in Manganites by Stripy Domains

    Science.gov (United States)

    Ju, Changcheng; Lu, Xiaomei; Chu, Yinghao

    2014-03-01

    Epitaxial thin film acts as a significant tool to investigate novel phenomena of complex oxide systems. Extrinsic constraint1 of uniform or certain designed buffer layer strain could be easily implanted to these materials. However, the strain distribution might be quite complicated by involving micro- or nano-lattice distortions which could partially relax the strain and determine the complex phase diagrams of thin film, meanwhile introducing structural and physical inhomogeneities. In this work , we report 71° striped ferroelectric domains created in BFO can also epitaxially lock the perovskite manganites leading to the emerge of ordered structural domain. LSMO/BFO hetero-epitaxial samples are deposited by PLD. The 71° periodic striped domains and coherent growth are demonstrated by PFM and X-ray analysis. Plan-view TEM and X-ray RSM have been used to confirm the epitaxial relationships of the functional layers and IP lattice constant. Both the simulation and structural analysis demonstrate we can create a periodic ordered stripe structural domain in LSMO. And this will leave an anisotropic distribution of structural domain walls which makes it possible to capture the anisotropic tunneling for strong electron-lattice coupling in manganites. Temperature-dependent resistivity measurements reveal a substantial anisotropic resistivities and a remarkable shift of the MI transition between the perpendicular and parallel to the stripe domain directions.

  15. Structural, Optical, and Electronic Characterization of Fe-Doped Alumina Nanoparticles

    Science.gov (United States)

    Heiba, Zein K.; Mohamed, Mohamed Bakr; Wahba, Adel Maher; Imam, N. G.

    2018-01-01

    The effects of iron doping on the structural, optical, and electronic properties of doped alumina have been studied. Single-phase iron-doped alumina Al2- x Fe x O3 ( x = 0.00 to 0.30) nanoparticles were synthesized via citrate-precursor method. Formation of single-phase hexagonal corundum structure with no other separate phases was demonstrated by x-ray diffraction (XRD) analysis and Fourier-transform infrared spectroscopy. The effects of iron doping on the α-Al2O3 structural parameters, viz. atomic coordinates, lattice parameters, crystallite size, and microstrain, were estimated from XRD data by applying the Rietveld profile fitting method. Transmission electron microscopy further confirmed the nanosize nature of the prepared samples with size ranging from 12 nm to 83 nm. The electronic band structure was investigated using density functional theory calculations to explain the decrease in the energy gap of Al2- x Fe x O3 as the amount of Fe was increased. The colored emission peaks in the visible region (blue, red, violet) of the electromagnetic spectrum obtained for the Fe-doped α-Al2O3 nanoparticles suggest their potential application as ceramic nanopigments.

  16. Effects of shape, size, and pyrene doping on electronic properties of graphene nanoflakes.

    Science.gov (United States)

    Kuamit, Thanawit; Ratanasak, Manussada; Rungnim, Chompoonut; Parasuk, Vudhichai

    2017-11-25

    Effects of size, shape, and pyrene doping on electronic properties of graphene nanoflakes (GNFs) were theoretically investigated using density functional theory method with PBE, B3PW91, and M06-2X functionals and cc-pVDZ basis set. Two shapes of zigzag GNFs, hexagonal (HGN) and rhomboidal (RGN), were considered. The energy band gap of GNF depends on shape and decreases with size. The HGN has larger band gap energy (1.23-3.96 eV) than the RGN (0.13-2.12 eV). The doping of pyrene and pyrene derivatives on both HGN and RGN was also studied. The adsorption energy of pyrene and pyrene derivatives on GNF does not depend on the shape of GNFs with energies between 21 and 27 kcal mol -1 . The substituent on pyrene enhances the binding to GNF but the strength does not depend on electron withdrawing or donating capability. The doping by pyrene and pyrene derivatives also shifts the HOMO and LUMO energies of GNFs. Both positive (destabilizing) and negative (stabilizing) shifts on HOMO and LUMO of GNFs were seen. The direction and magnitude of the shift do not follow the electron withdrawing and donating capability of pyrene substituents. However, only a slight shift was observed for doped RGN. A shift of 0.19 eV was noticed for HOMO of HGN doped with 1-aminopyrene (pyNH 2 ) and of 0.04 eV for LUMO of HGN doped with 1-pyrenecarboxylic acid (pyCOOH). Graphical Abstract HOMO and LUMO Energies of pyrene/pyrene derivatives doped Graphene Nanoflakes.

  17. Electroresistive and magnetoresistive effects in electron doped manganite La0.7Ce0.3MnO3 thin films

    International Nuclear Information System (INIS)

    Bajaj, Kavita; Jesudasan, John; Bagwe, Vivas; Raychaudhuri, Pratap

    2007-01-01

    Full text: The influence of electric current and magnetic field separately and in conjugation on the transport behavior of patterned La 0.7 Ce 0.3 MnO 3 thin films on (001) LaAlO 3 substrate is studied. Measurements were carried out in the regime of low current densities, for dc currents. In absence of magnetic field significant reduction in peak resistance (R p ) was found with increasing bias current. This effect is also present when a magnetic field is applied though the magnitude of the electroresistance (ER=(R(I=0.05μA)-R(I=50μA))/R(I=50μA)) decreases. The metal-insulator transition temperature (T p ) increases both with increasing current and with magnetic field. The current-voltage characteristics at various temperatures above and below T p show nonlinearity for small currents due to electroresistance and large currents due to Joule heating. The behavior of resistance with current is similar at various temperatures decreasing initially with increasing current and then nearly leveling off. We observe an interesting correlation between effect of electric current and magnetic field. The magnetoresistance (MR (R H=0 -R H=1T )/R H=0 ) decreases with increasing bias current, while ER decreases with increasing magnetic field. Both ER and MR show a maximum near T p . This interesting correlation between these two effects suggests that both these effects suggests that both these effects arise from the same origin

  18. Size effect on the structural, magnetic, and magnetotransport properties of electron doped manganite La0.15Ca0.85MnO3

    Science.gov (United States)

    Thomas, Rini; Das, Gangadhar; Mondal, Rajib; Pradheesh, R.; Mahato, R. N.; Geetha Kumary, T.; Nirmala, R.; Morozkin, A. V.; Lamsal, J.; Yelon, W. B.; Nigam, A. K.; Malik, S. K.

    2012-04-01

    Nanocrystalline La0.15Ca0.85MnO3 samples of various grain sizes ranging from ˜17 to 42 nm have been prepared by sol-gel technique. Phase purity and composition were verified by room temperature x-ray diffraction and SEM-EDAX analysis. The bulk La0.15Ca0.85MnO3 is known to order antiferromagnetically around 170 K and to undergo a simultaneous crystal structural transition. DC magnetization measurements on 17 nm size La0.15Ca0.85MnO3 show a peak at ˜130 K (TN) in zero-field-cooled (ZFC) state. Field-cooled magnetization bifurcates from ZFC data around 200 K hinting a weak ferromagnetic component near room temperature due to surface moments of the nanoparticle sample. Low temperature powder neutron diffraction experiments reveal that the incomplete structural transition from room temperature orthorhombic to low temperature orthorhombic-monoclinic state also occurs in the nanoparticle sample as in the bulk. Magnetization in the ordered state decreases as particle size increases, thus indicating the reduction of the competing ferromagnetic surface moments.

  19. Anomalously large anisotropic magnetoresistance in a perovskite manganite

    Science.gov (United States)

    Li, Run-Wei; Wang, Huabing; Wang, Xuewen; Yu, X. Z.; Matsui, Y.; Cheng, Zhao-Hua; Shen, Bao-Gen; Plummer, E. Ward; Zhang, Jiandi

    2009-01-01

    The signature of correlated electron materials (CEMs) is the coupling between spin, charge, orbital and lattice resulting in exotic functionality. This complexity is directly responsible for their tunability. We demonstrate here that the broken symmetry, through cubic to orthorhombic distortion in the lattice structure in a prototype manganite single crystal, La0.69Ca0.31MnO3, leads to an anisotropic magneto-elastic response to an external field, and consequently to remarkable magneto-transport behavior. An anomalous anisotropic magnetoresistance (AMR) effect occurs close to the metal-insulator transition (MIT) in the system, showing a direct correlation with the anisotropic field-tuned MIT in the system and can be understood by means of a simple phenomenological model. A small crystalline anisotropy stimulates a “colossal” AMR near the MIT phase boundary of the system, thus revealing the intimate interplay between magneto- and electronic-crystalline couplings. PMID:19706504

  20. Conduction electrons in acceptor-doped GaAs/GaAlAs heterostructures: a review

    International Nuclear Information System (INIS)

    Zawadzki, Wlodek; Raymond, Andre; Kubisa, Maciej

    2016-01-01

    We review magneto-optical and magneto-transport effects in GaAs/GaAlAs heterostructures doped in GaAlAs barriers with donors, providing two-dimensional (2D) electron gas (2DEG) in GaAs quantum wells (QWS), and additionally doped with smaller amounts of acceptors (mostly Be atoms) in the vicinity of 2DEG. One may also deal with residual acceptors (mostly C atoms). The behavior of such systems in the presence of a magnetic field differs appreciably from those doped in the vicinity of 2DEG with donors. Three subjects related to the acceptor-doped heterostructures are considered. First is the problem of bound states of conduction electrons confined to the vicinity of negatively charged acceptors by the joint effect of a QW and an external magnetic field parallel to the growth direction. A variational theory of such states is presented, demonstrating that an electron turning around a repulsive center has discrete energies above the corresponding Landau levels. Experimental evidence for the discrete electron energies comes from the work on interband photo-magneto-luminescence, intraband cyclotron resonance and quantum magneto-transport (the Quantum Hall and Shubnikov–de Haas effects). An electron rain-down effect at weak electric fields and a boil-off effect at strong electric fields are introduced. It is demonstrated, both theoretically and experimentally, that a negatively charged acceptor can localize more than one electron. The second subject describes experiment and theory of asymmetric quantized Hall and Shubnikov–de Haas plateaus in acceptor-doped GaAs/GaAlAs heterostructures. It is shown that the main features of the plateau asymmetry can be attributed to asymmetric density of Landau states in the presence of acceptors. However, at high magnetic fields, the rain-down effect is also at work. The third subject deals with the so-called disorder modes (DMs) in the cyclotron resonance of conduction electrons. The DMs originate from random distributions of

  1. Formation, Energetics, and Electronic Properties of Graphene Monolayer and Bilayer Doped with Heteroatoms

    Directory of Open Access Journals (Sweden)

    Yoshitaka Fujimoto

    2015-01-01

    Full Text Available Doping with heteroatoms is one of the most effective methods to tailor the electronic properties of carbon nanomaterials such as graphene and carbon nanotubes, and such nanomaterials doped with heteroatom dopants might therefore provide not only new physical and chemical properties but also novel nanoelectronics/optoelectronics device applications. The boron and nitrogen are neighboring elements to carbon in the periodic table, and they are considered to be good dopants for carbon nanomaterials. We here review the recent work of boron and nitrogen doping effects into graphene monolayer as well as bilayer on the basis of the first-principles electronic structure calculations in the framework of the density-functional theory. We show the energetics and the electronic properties of boron and nitrogen defects in graphene monolayer and bilayer. As for the nitrogen doping, we further discuss the stabilities, the growth processes, and the electronic properties associated with the plausible nitrogen defect formation in graphene which is suggested by experimental observations.

  2. Second order magnetic phase transition and scaling analysis in iron doped manganite La0.7Ca0.3Mn1−xFexO3 compounds

    International Nuclear Information System (INIS)

    Ginting, Dianta; Nanto, Dwi; Denny, Yus Rama; Tarigan, Kontan; Hadi, Syamsul; Ihsan, Mohammad; Rhyee, Jong-Soo

    2015-01-01

    We investigated magnetic properties of La 0.7 Ca 0.3 Mn 1−x Fe x O 3 (x=0.09 and 0.11) compounds in terms of isothermal magnetization analysis and scaling behavior with various critical exponents. From the Landau theory of magnetic phase transition, we found that the paramagnetic to ferromagnetic phase transition in La 0.7 Ca 0.3 Mn 1−x Fe x O 3 (x=0.09 and 0.11) compounds is the type of second order magnetic transition (SOMT), which contrary to the first order magnetic transition (FOMT) for low Fe-doped compounds (x<0.09) in previous reports. When we investigate the critical behavior of the compounds near T=T c by the modified Arrott plot, Kouvel–Fisher plots, and critical isothermal analysis, the estimated critical exponents β, γ, and δ are in between the theoretically predicted values for three-dimensional Heisenberg and mean-field interaction models. It is noteworthy that the scaling relations are obeyed in terms of renormalization magnetization m=ε −β M(H,ε) and renormalized field h=|ε| β+γ H. Temperature-dependent effective exponents β eff and γ eff correspond to the ones of disordered ferromagnets. It is shown that the magnetic state of the compounds is not fully described by the conventional localized-spin interaction model because the ferromagnetic interaction has itinerant character by increasing Fe-doping concentration. - Highlights: • The ferromagnetic phase transition is of second order in La 0.7 Ca 0.3 Mn 1−x Fe x O 3 . • The critical exponents are in between the 3D Heisenberg and mean-field models. • The ferromagnetic interaction becomes more itinerant by Fe-doping

  3. Doping in silicon nanocrystals: An ab initio study of the structural, electronic and optical properties

    International Nuclear Information System (INIS)

    Iori, Federico; Degoli, Elena; Luppi, Eleonora; Magri, Rita; Marri, Ivan; Cantele, G.; Ninno, D.; Trani, F.; Ossicini, Stefano

    2006-01-01

    There are experimental evidences that doping control at the nanoscale can significantly modify the optical properties with respect to the pure systems. This is the case of silicon nanocrystals (Si-nc), for which it has been shown that the photoluminescence (PL) peak can be tuned also below the bulk Si band gap by properly controlling the impurities, for example by boron (B) and phosphorus (P) codoping. In this work, we report on an ab initio study of impurity states in Si-nc. We consider B and P substitutional impurities for Si-nc with a diameter up to 2.2 nm. Formation energies (FEs), electronic, optical and structural properties have been determined as a function of the cluster dimension. For both B-doped and P-doped Si-nc the FE increases on decreasing the dimension, showing that the substitutional doping gets progressively more difficult for the smaller nanocrystals. Moreover, subsurface impurity positions result to be the most stable ones. The codoping reduces the FE strongly favoring this process with respect to the simple n-doping or p-doping. Such an effect can be attributed to charge compensation between the donor and the acceptor atoms. Moreover, smaller structural deformations, with respect to n-doped and p-doped cases, localized only around the impurity sites are observed. The band gap and the optical threshold are largely reduced with respect to the undoped Si-nc showing the possibility of an impurity-based engineering of the Si-nc PL properties

  4. Effect of Ag Doping on the Electronic Structure and Optical Properties of ZnO(0001 Surface

    Directory of Open Access Journals (Sweden)

    Xiang Qian

    2018-01-01

    Full Text Available Using first-principle calculations, the geometrical structure, the electronic and optical properties of Ag-doped ZnO(0001 surface have been investigated. We found that Ag-doped ZnO(0001 surface is more easily formed on the first layer. On the other hand, the doped surface has gradually become an equipotential body, showing obvious metallic characteristics. We found that a new peak appeared in the low energy region after Ag doping, which was mainly due to the electron transition between the two orbital levels of Ag-4d and O-2p.

  5. Gas adsorption, energetics and electronic properties of boron- and nitrogen-doped bilayer graphenes

    Energy Technology Data Exchange (ETDEWEB)

    Fujimoto, Yoshitaka, E-mail: fujimoto@stat.phys.titech.ac.jp [Department of Physics, Tokyo Institute of Technology, Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Saito, Susumu [Department of Physics, Tokyo Institute of Technology, Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); International Research Center for Nanoscience and Quantum Physics, Tokyo Institute of Technology, 2-12-1 Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan)

    2016-10-20

    We study stabilities and electronic properties of several environmental polluting or toxic gas molecules (CO, CO{sub 2}, NO, and NO{sub 2}) adsorbed on B and N atoms in bilayer graphene using first-principles electronic-structure calculations. We find that NO and NO{sub 2} molecules can be bound chemically on B-doped bilayer graphene with large adsorption energies, while CO and CO{sub 2} molecules are not adsorbed chemically on B-doped one. In the case of the N-doped graphene, all four gases do not bind with chemical bonds but adsorb rather physically with small adsorption energies at long distances between gases and graphene. The adsorptions of NO and NO{sub 2} molecules on B-doped bilayer graphene induce the acceptor states above the Fermi energy, and we also find that the charge transfer takes place when the NO and the NO{sub 2} molecules are adsorbed. Thereby, the B-doped bilayer graphene is expected to be useful for NO and NO{sub 2} gas sensor materials.

  6. Electronic properties of B and Al doped graphane: A hybrid density functional study

    Science.gov (United States)

    Mapasha, R. E.; Igumbor, E.; Andriambelaza, N. F.; Chetty, N.

    2018-04-01

    Using a hybrid density functional theory approach parametrized by Heyd, Scuseria and Ernzerhof (HSE06 hybrid functional), we study the energetics, structural and electronic properties of a graphane monolayer substitutionally doped with the B (BCH) and Al (AlCH) atoms. The BCH defect can be integrated within a graphane monolayer at a relative low formation energy, without major structural distortions and symmetry breaking. The AlCH defect relaxes outward of the monolayer and breaks the symmetry. The density of states plots indicate that BCH doped graphane monolayer is a wide band gap semiconductor, whereas the AlCH defect introduces the spin dependent mid gap states at the vicinity of the Fermi level, revealing a metallic character with the pronounced magnetic features. We further examine the response of the Al dependent spin states on the multiple charge states doping. We find that the defect formation energy, structural and electronic properties can be altered via charge state modulation. The +1 charge doping opens an energy band gap of 1.75 eV. This value corresponds to the wavelength in the visible spectrum, suggesting an ideal material for solar cell absorbers. Our study fine tunes the graphane band gap through the foreign atom doping as well as via defect charge state modulation.

  7. Electron doping through lithium intercalation to interstitial channels in tetrahedrally bonded SiC

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, Yuki [Department of Applied Physics, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Center for Computational Materials, Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712 (United States); Oshiyama, Atsushi [Department of Applied Physics, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2015-11-07

    We report on first-principles calculations that clarify the effect of lithium atom intercalation into zinc blende 3C-silicon carbide (3C-SiC) on electronic and structural properties. Lithium atoms inside 3C-SiC are found to donate electrons to 3C-SiC that is an indication of a new way of electron doping through the intercalation. The electrons doped into the conduction band interact with lithium cations and reduce the band spacing between the original valence and conduction bands. We have also found that a silicon monovacancy in 3C-SiC promotes the lithium intercalation, showing that the vacancy generation makes SiC as a possible anode material for lithium-ion battery.

  8. Structural, electronic, and magnetic properties of 3D metal trioxide and tetraoxide superhalogen cluster-doped monolayer BN

    International Nuclear Information System (INIS)

    Meng, Jingjing; Li, Dan; Niu, Yuan; Zhao, Hongmin; Liang, Chunjun; He, Zhiqun

    2016-01-01

    The structural, electronic, and magnetic properties of monolayer BN doped with 3D metal trioxide and tetraoxide superhalogen clusters are investigated using first-principle calculations. TMO_3_(_4_)-doped monolayer BN exhibits a low negative formation energy, whereas TM atoms embedded in monolayer BN show a high positive formation energy. TMO_3_(_4_) clusters are embedded more easily in monolayer BN than TM atoms. Compared with TMO_3-doped structures, TMO_4-doped structures have a higher structural stability because of their higher binding energies. Given their low negative formation energies, TMO_4-doped structures are more favored for specific applications than TMO_3-doped structures and TM atom-doped structures. Large magnetic moments per supercell and significant ferromagnetic couplings between a TM atom and neighboring B and N atoms on the BN layer were observed in all TMO_4-doped structures, except for TiO_4-doped structures. - Highlights: • TMO_3_(_4_) superhalogen clusters incorporated into monolayer BN were investigated. • TMO_3_(_4_) clusters are embedded more easily in monolayer BN than TM atoms. • TMO_4-doped structures are more favored for specific applications. • Large magnetic moments were observed in TMO_4-doped structures. • The band gap was sensitively dependent on the doped clusters.

  9. Structure and magnetocaloric properties of La1-xKxMnO3 manganites

    International Nuclear Information System (INIS)

    Aliev, A.M.; Gamzatov, A.G.; Batdalov, A.B.; Mankevich, A.S.; Korsakov, I.E.

    2011-01-01

    A technology of obtaining the single-phase ceramic samples of La 1-x K x MnO 3 manganites and the dependence of their structural parameters on the content of potassium has been described. Magnetocaloric effect (MCE) in the obtained samples has been measured by two independent methods: classical direct methodic and a method of magnetic field modulation. The values of MCE obtained by both methods substantially differ. The explanation of the observed divergences is given. The correlation between the level of doping and MCE value has been defined. The value of T C determined by the MCE maximum conforms with the literature data obtained by other methods.

  10. Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

    International Nuclear Information System (INIS)

    Majidi, R.; Ghafoori Tabrizi, K.; Jalili, S.

    2009-01-01

    The effect of boron nitride (BN) doping on electronic properties of armchair double-walled carbon and hetero-nanotubes is studied using ab initio molecular dynamics method. The armchair double-walled hetero-nanotubes are predicted to be semiconductor and their electronic structures depend strongly on the electronic properties of the single-walled carbon nanotube. It is found that electronic structures of BN-doped double-walled hetero-nanotubes are intermediate between those of double-walled boron nitride nanotubes and double-walled carbon and boron nitride hetero-nanotubes. Increasing the amount of doping leads to a stronger intertube interaction and also increases the energy gap.

  11. Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Majidi, R. [Department of Physics, Shahid Beheshti University, Evin, Tehran 19839-63113 (Iran, Islamic Republic of); Ghafoori Tabrizi, K., E-mail: K-TABRIZI@sbu.ac.i [Department of Physics, Shahid Beheshti University, Evin, Tehran 19839-63113 (Iran, Islamic Republic of); Jalili, S. [Department of Chemistry, K.N. Toosi University of Technology, Tehran 16315-1618 (Iran, Islamic Republic of)

    2009-11-01

    The effect of boron nitride (BN) doping on electronic properties of armchair double-walled carbon and hetero-nanotubes is studied using ab initio molecular dynamics method. The armchair double-walled hetero-nanotubes are predicted to be semiconductor and their electronic structures depend strongly on the electronic properties of the single-walled carbon nanotube. It is found that electronic structures of BN-doped double-walled hetero-nanotubes are intermediate between those of double-walled boron nitride nanotubes and double-walled carbon and boron nitride hetero-nanotubes. Increasing the amount of doping leads to a stronger intertube interaction and also increases the energy gap.

  12. Optical and electronic properties of polyvinyl alcohol doped with pairs of mixed valence metal ions

    International Nuclear Information System (INIS)

    Bulinski, Mircea; Kuncser, Victor; Plapcianu, Carmen; Krautwald, Stefan; Franke, Hilmar; Rotaru, P; Filoti, George

    2004-01-01

    The electronic mechanisms induced by the UV exposure of thin films of polyvinyl alcohol doped with pairs of mixed valence metal ions were studied in relation to their optical behaviour by Moessbauer spectroscopy and optical absorption. The results obtained definitely point to the role of each element from the pair in the electronic mechanism involved, with influence on the optical properties regarding applications in real-time holography and integrated optics

  13. Electronic Transport Properties of Carbon-Nanotube Networks: The Effect of Nitrate Doping on Intratube and Intertube Conductances

    Science.gov (United States)

    Ketolainen, T.; Havu, V.; Jónsson, E. Ö.; Puska, M. J.

    2018-03-01

    The conductivity of carbon-nanotube (CNT) networks can be improved markedly by doping with nitric acid. In the present work, CNTs and junctions of CNTs functionalized with NO3 molecules are investigated to understand the microscopic mechanism of nitric acid doping. According to our density-functional-theory band-structure calculations, there is charge transfer from the CNT to adsorbed molecules indicating p -type doping. The average doping efficiency of the NO3 molecules is higher if the NO3 molecules form complexes with water molecules. In addition to electron transport along individual CNTs, we also study electron transport between different types (metallic, semiconducting) of CNTs. Reflecting the differences in the electronic structures of semiconducting and metallic CNTs, we find that in addition to turning semiconducting CNTs metallic, doping further increases electron transport most efficiently along semiconducting CNTs as well as through the junctions between them.

  14. Electronic Properties of LiFePO4 and Li doped LiFePO4

    International Nuclear Information System (INIS)

    Zhuang, G.V.; Allen, J.L.; Ross, P.N.; Guo, J.-H.; Jow, T.R.

    2005-01-01

    The potential use of different iron phosphates as cathode materials in lithium-ion batteries has recently been investigated.1 One of the promising candidates is LiFePO4. This compound has several advantages in comparison to the state-of-the-art cathode material in commercial rechargeable lithium batteries. Firstly, it has a high theoretical capacity (170 mAh/g). Secondly, it occurs as mineral triphylite in nature and is inexpensive, thermally stable, non-toxic and non-hygroscopic. However, its low electronic conductivity (∼10-9 S/cm) results in low power capability. There has been intense worldwide research activity to find methods to increase the electronic conductivity of LiFePO4, including supervalent ion doping,2 introducing non-carbonaceous network conduction3 and carbon coating, and the optimization of the carbon coating on LiFePO4 particle surfaces.4 Recently, the Li doped LiFePO4 (Li1+xFe1-xPO4) synthesized at ARL has yield electronic conductivity increase up to 106.5 We studied electronic structure of LiFePO4 and Li doped LiFePO4 by synchrotron based soft X-ray emission (XES) and X-ray absorption (XAS) spectroscopies. XAS probes the unoccupied partial density of states, while XES the occupied partial density of states. By combining XAS and XES measurements, we obtained information on band gap and orbital character of both LiFePO4 and Li doped LiFePO4. The occupied and unoccupied oxygen partial density of states (DOS) of LiFePO4 and 5 percent Li doped LiFePO4 are presented in Fig. 1. Our experimental results clearly indicate that LiFePO4 has wideband gap (∼ 4 eV). This value is much larger than what is predicted by DFT calculation. For 5 percent Li doped LiFePO4, a new doping state was created closer to the Fermi level, imparting p-type conductivity, consistent with thermopower measurement. Such observation substantiates the suggestion that high electronic conductivity in Li1.05Fe0.95 PO4 is due to available number of charge carriers in the material

  15. Enhancing electron transport in Si:P delta-doped devices by rapid thermal anneal

    International Nuclear Information System (INIS)

    Goh, K. E. J.; Augarten, Y.; Oberbeck, L.; Simmons, M. Y.

    2008-01-01

    We address the use of rapid thermal anneal (RTA) to enhance electron mobility and phase coherent transport in Si:P δ-doped devices encapsulated by low temperature Si molecular beam epitaxy while minimizing dopant diffusion. RTA temperatures of 500-700 deg. C were applied to δ-doped layers encapsulated at 250 deg. C. From 4.2 K magnetotransport measurements, we find that the improved crystal quality after RTA increases the mobility/mean free path by ∼40% and the phase coherence length by ∼25%. Our results suggest that the initial capping layer has near optimal crystal quality and transport improvement achieved by a RTA is limited

  16. Structural and electronic properties of boron-doped double-walled silicon carbide nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Behzad, Somayeh, E-mail: somayeh.behzad@gmail.co [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of); Moradian, Rostam [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of); Nano Science and Technology Research Center, Razi University, Kermanshah (Iran, Islamic Republic of); Computational Physical Science Research Laboratory, Department of Nano Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of); Chegel, Raad [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of)

    2010-12-01

    The effects of boron doping on the structural and electronic properties of (6,0)-(14,0) double-walled silicon carbide nanotube (DWSiCNT) are investigated by using spin-polarized density functional theory. It is found that boron atom could be more easily doped in the inner tube. Our calculations indicate that a Si site is favorable for B under C-rich condition and a C site is favorable under Si-rich condition. Additionally, B-substitution at either single carbon or silicon atom site in DWSiCNT could induce spontaneous magnetization.

  17. Structural and electronic properties of boron-doped double-walled silicon carbide nanotubes

    International Nuclear Information System (INIS)

    Behzad, Somayeh; Moradian, Rostam; Chegel, Raad

    2010-01-01

    The effects of boron doping on the structural and electronic properties of (6,0)-(14,0) double-walled silicon carbide nanotube (DWSiCNT) are investigated by using spin-polarized density functional theory. It is found that boron atom could be more easily doped in the inner tube. Our calculations indicate that a Si site is favorable for B under C-rich condition and a C site is favorable under Si-rich condition. Additionally, B-substitution at either single carbon or silicon atom site in DWSiCNT could induce spontaneous magnetization.

  18. Structural and electronic properties of boron-doped double-walled silicon carbide nanotubes

    Science.gov (United States)

    Behzad, Somayeh; Moradian, Rostam; Chegel, Raad

    2010-12-01

    The effects of boron doping on the structural and electronic properties of (6,0)@(14,0) double-walled silicon carbide nanotube (DWSiCNT) are investigated by using spin-polarized density functional theory. It is found that boron atom could be more easily doped in the inner tube. Our calculations indicate that a Si site is favorable for B under C-rich condition and a C site is favorable under Si-rich condition. Additionally, B-substitution at either single carbon or silicon atom site in DWSiCNT could induce spontaneous magnetization.

  19. Second order magnetic phase transition and scaling analysis in iron doped manganite La{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Fe{sub x}O{sub 3} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ginting, Dianta [Department of Applied Physics and Institute of Natural Sciences, Kyung Hee University, Yong-in 446-701 (Korea, Republic of); Nanto, Dwi [Physics Education, Syarif Hidayatullah State Islamic University, Jakarta 15412 (Indonesia); Denny, Yus Rama [Department of Electrical Engineering, University of Sultan Ageng Tirtayasa, Banten 42435 (Indonesia); Tarigan, Kontan [Department of Mechanical Engineering, Mercu Buana University, Jakarta-Barat, Jakarta 11650 (Indonesia); Hadi, Syamsul [Department of Mechanical Engineering, State Polytechnic of Malang, East Java 65100 (Indonesia); Ihsan, Mohammad [PSTBM-BATAN, Kawasan Puspiptek Serpong, Tangerang Selatan, Banten 15314 (Indonesia); Institute of Electronic Materials, University of Wollongong, Wollongong NSW 2522 (Australia); Rhyee, Jong-Soo, E-mail: jsrhyee@khu.ac.kr [Department of Applied Physics and Institute of Natural Sciences, Kyung Hee University, Yong-in 446-701 (Korea, Republic of)

    2015-12-01

    We investigated magnetic properties of La{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Fe{sub x}O{sub 3} (x=0.09 and 0.11) compounds in terms of isothermal magnetization analysis and scaling behavior with various critical exponents. From the Landau theory of magnetic phase transition, we found that the paramagnetic to ferromagnetic phase transition in La{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Fe{sub x}O{sub 3} (x=0.09 and 0.11) compounds is the type of second order magnetic transition (SOMT), which contrary to the first order magnetic transition (FOMT) for low Fe-doped compounds (x<0.09) in previous reports. When we investigate the critical behavior of the compounds near T=T{sub c} by the modified Arrott plot, Kouvel–Fisher plots, and critical isothermal analysis, the estimated critical exponents β, γ, and δ are in between the theoretically predicted values for three-dimensional Heisenberg and mean-field interaction models. It is noteworthy that the scaling relations are obeyed in terms of renormalization magnetization m=ε{sup −β}M(H,ε) and renormalized field h=|ε|{sup β+γ}H. Temperature-dependent effective exponents β{sub eff} and γ{sub eff} correspond to the ones of disordered ferromagnets. It is shown that the magnetic state of the compounds is not fully described by the conventional localized-spin interaction model because the ferromagnetic interaction has itinerant character by increasing Fe-doping concentration. - Highlights: • The ferromagnetic phase transition is of second order in La{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Fe{sub x}O{sub 3}. • The critical exponents are in between the 3D Heisenberg and mean-field models. • The ferromagnetic interaction becomes more itinerant by Fe-doping.

  20. Evolution of electronic structure in highly charge doped MoS2 compounds

    Science.gov (United States)

    Bin Subhan, Mohammed; Watson, Matthew; Liu, Zhongkai; Walters, Andrew; Hoesch, Moritz; Howard, Chris; Diamond I05 beamline Collaboration

    Transition-metal dichalcogenides (TMDCs) are a group of layered materials that exhibit a rich array of electronic ground states including semiconductivity, metallicity, superconductivity and charge density waves. In recent years, 2D TMDCs have attracted considerable attention due to their unique properties and potential applications in optoelectronics. It has been shown that the charge carrier density in few layer MoS2 can be tunably increased via electrostatic gating. At high levels of doping, MoS2 exhibits superconductivity with a dome-like dependence of Tc on doping analogous to that found in the cuprate superconductors. High doping can also be achieved via intercalation of alkali metals in bulk MoS2. The origin of this superconductivity is not yet fully understood with predictions ranging from exotic pairing mechanisms in bulk systems to Ising superconductivity in single layers. Despite these interesting properties, there has been limited research to date on the electronic structure of these doped compounds. Here we present our work on alkali metal intercalated MoS2 using the low temperature metal ammonia solution method. Using X-ray diffraction, Raman spectroscopy and ARPES measurements we will discuss the physical and electronic structure of these materials. EPSRC, Diamond Light Source.

  1. Well-ordered monolayers of alkali-doped coronene and picene: Molecular arrangements and electronic structures

    Energy Technology Data Exchange (ETDEWEB)

    Yano, M.; Endo, M.; Hasegawa, Y.; Okada, R.; Yamada, Y., E-mail: yamada@bk.tsukuba.ac.jp; Sasaki, M. [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan)

    2014-07-21

    Adsorptions of alkali metals (such as K and Li) on monolayers of coronene and picene realize the formation of ordered phases, which serve as well-defined model systems for metal-intercalated aromatic superconductors. Upon alkali-doping of the monolayers of coronene and picene, scanning tunneling microscopy and X-ray absorption spectroscopy revealed the rearrangement of the entire molecular layer. The K-induced reconstruction of both monolayers resulted in the formation of a structure with a herringbone-like arrangement of molecules, suggesting the intercalation of alkali metals between molecular planes. Upon reconstruction, a shift in both the vacuum level and core levels of coronene was observed as a result of a charge transfer from alkali metals to coronene. In addition, a new density of states near the Fermi level was formed in both the doped coronene and the doped picene monolayers. This characteristic electronic feature of the ordered monolayer has been also reported in the multilayer picene films, ensuring that the present monolayer can model the properties of the metal-intercalated aromatic hydrocarbons. It is suggested that the electronic structure near the Fermi level is sensitive to the molecular arrangement, and that both the strict control and determinations of the molecular structure in the doped phase should be important for the determination of the electronic structure of these materials.

  2. Ni doping effect on the electronic and sensing properties of 2D SnO2

    Science.gov (United States)

    Patel, Anjali; Roondhe, Basant; Jha, Prafulla K.

    2018-05-01

    In the present work using state of art first principles calculations under the frame work of density functional theory the effect of Nickel (Ni) doping on electronic as well as sensing properties of most stable two dimensional (2D) T-SnO2 phase towards ethanol (C2H5OH) has been observed. It has been found that Ni atom when dope on T-SnO2 causes prominent decrement in the band gap from 2.26 eV to 1.48 eV and improves the sensing phenomena of pristine T-SnO2 towards C2H5OH by increasing the binding energy from -0.18eV to -0.93eV. The comparative analysis of binding energy shows that Ni improves the binding of C2H5OH by 5.16 times the values for pristine T-SnO2. The doping of Ni into 2D T-SnO2 reduces the band gap through lowering of the conduction band minimum, thereby increasing the electron affinity which increases the sensing performance of T-SnO2. The variation in the electronic properties after and before the exposure of ethanol reinforced to use Ni:SnO2 nano structure for sensing applications. The results indicate that the Ni doped T-SnO2 can be utilized in improved optoelectronic as well as sensor devices in the future.

  3. Enhancement of localization phenomena driven by covalency in the SrBiMn{sub 1.75}Ti{sub 0.25}O{sub 6} manganite

    Energy Technology Data Exchange (ETDEWEB)

    Asensio de Lucas, E.; Alvarez-Serrano, I. [Depto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Cuello, G.J. [Institut Laue-Langevin, 6 rue Jules Horowitz, F-38042 Grenoble (France); Garcia-Hernandez, M. [Instituto de Ciencia de Materiales de Madrid, CSIC, E-28049 Cantoblanco, Madrid (Spain); Lopez, M.L., E-mail: marisal@quim.ucm.es [Depto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Pico, C.; Veiga, M.L. [Depto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain)

    2012-05-05

    Graphical abstract: Enhancement of localization phenomena driven by covalency in the BiSrMn{sub 1.75}Ti{sub 0.25}O{sub 6} manganite. The CO/OO phenomena and magnetic clusters (Mn{sub 4}) stabilization at temperatures up to 520 K in BiSrMn{sub 1.75}Ti{sub 0.25}O{sub 6} are connected to a structural transition. The observed enhancement of electronic localization is interpreted considering covalent effects of Ti{sup 4+} and Bi{sup 3+} cations as the main driving force. Highlights: Black-Right-Pointing-Pointer The structural, electronic and magnetic behaviour of the new SrBiMn{sub 1.75}Ti{sub 0.25}O{sub 6} manganite is reported. Black-Right-Pointing-Pointer A structural transition above 520 K takes place, coinciding with relevant changes in the transport properties. Black-Right-Pointing-Pointer The electronic behavior is interpreted in terms of a remarkably high orbital and charge ordering temperature and cluster models. Black-Right-Pointing-Pointer The observed features are explained considering a scenario in which bonds covalence is enhanced by the Bi{sup 3+} and Ti{sup 4+} cations. - Abstract: Manganites are materials that show remarkable phenomena related to charge orbital ordering (CO/OO) and it is extremely important to understand the fundamental nature of this behaviour. This paper reports on the structural, electronic and magnetic behaviour of the new SrBiMn{sub 1.75}Ti{sub 0.25}O{sub 6} manganite and the dependence of these properties with temperature. A detailed structural analysis has been carried out by electron, X-ray, neutron diffraction between 4 and 700 K. The electron diffraction patterns obtained at room temperature (RT) evidence that the average structure (a{approx}b{approx}{radical}(2)a{sub p} and c {approx} 2a{sub p}) presents a modulation that doubles the a and c lattice parameters. A very high charge ordering (CO) transition temperature of 510 K, similar to that found for the non-doped material, SrBiMn{sub 2}O{sub 6}, is observed. Above this

  4. Structural, magnetic and magnetocaloric properties of vanadium-doped manganites La0.65Ca0.35Mn1−xVxO3 (0 ⩽ x ⩽ 0.5)

    International Nuclear Information System (INIS)

    Marzouki-Ajmi, A.; Mansouri, M.; Cheikhrouhou-Koubaa, W.; Koubaa, M.; Cheikhrouhou, A.

    2017-01-01

    Highlights: • Our samples were prepared using solid state reaction method. • All samples crystallized in orthorhombic structure with Pbnm space group. • Presence of secondary phase LaVO 4 in V-doped samples. • Our samples exhibit PM-FM transition at Curie temperature. • The Curie temperature decreases with V-doping (262 K for x = 0 to 206 K for x = 0.5). • The Magnetic transition was found to be of second order. - Abstract: Structural, magnetic and magnetocaloric properties of polycrystalline La 0.65 Ca 0.35 Mn 1−x V x O 3 have been investigated. Our samples were prepared using the solid state reaction method at high temperatures. X-ray diffraction analysis show that all samples crystallized in the orthorhombic structure with Pbnm space group with presence of LaVO 4 as secondary phase. The SEM micrographs reveal micrometric grains with bimodal size distribution. Magnetic Measurements indicate that our samples exhibit a PM–FM transition, with a Curie temperature (T C ) decreasing from 262 K for x = 0 to 208 K for x = 0.5; in addition to the presence of the Griffiths phase in the paramagnetic region. Using the isothermal magnetization versus magnetic applied field, we have deduced that the occured magnetic transition is of second order. Moreover, we have calculated the magnetic entropy change, which reaches 5.25 J/kg K for La 0.65 Ca 0.35 Mn 0.5 V 0.5 O 3 compound under 5T. This value is associated to a relative cooling power (RCP) of 207 J/kg.

  5. Chemical potential pinning due to equilibrium electron transfer at metal/C60-doped polymer interfaces

    Science.gov (United States)

    Heller, C. M.; Campbell, I. H.; Smith, D. L.; Barashkov, N. N.; Ferraris, J. P.

    1997-04-01

    We report electroabsorption measurements of the built-in electrostatic potential in metal/C60-doped polymer/metal structures to investigate chemical potential pinning due to equilibrium electron transfer from a metal contact to the electron acceptor energy level of C60 molecules in the polymer film. The built-in potentials of a series of structures employing thin films of both undoped and C60-doped poly[2-methoxy, 5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were measured. For undoped MEH-PPV, which has an energy gap of about 2.4 eV, the maximum built-in potential is about 2.1 eV, whereas for C60-doped MEH-PPV the maximum built-in potential decreases to 1.5 eV. Electron transfer to the C60 molecules close to the metal interface pins the chemical potential of the metal contact near the electron acceptor energy level of C60 and decreases the built-in potential of the structure. From the systematic dependence of the built-in potential on the metal work function we find that the electron acceptor energy level of C60 in MEH-PPV is about 1.7 eV above the hole polaron energy level of MEH-PPV.

  6. Phase separation in La-Ca manganites: Magnetic field effects

    International Nuclear Information System (INIS)

    Tovar, M.; Causa, M.T.; Ramos, C.A.; Laura-Ccahuana, D.

    2008-01-01

    The coexistence of magnetic phases seems to be a characteristic of the La-Ca family of in colossal magnetoresistant manganites. We have analyzed this phenomenon in terms of a free energy, F, where magnetic and electronic contributions of two coexistent phases are included. Three order parameters describe the behavior of the mixed material: the magnetization of each phase and the metallic fraction. Due to the coupling between order parameters there is a range: T**≤T≤T* where coexistence is possible. Values for the phenomenological parameters are obtained from the experiment. In this paper we analyze the effects of an applied magnetic field on the range of T where the phase coexistence takes place, based on results obtained from dc-magnetization and ESR measurements

  7. Phase separation in La-Ca manganites: Magnetic field effects

    Energy Technology Data Exchange (ETDEWEB)

    Tovar, M; Causa, M T [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica and Universidad Nacional de Cuyo, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Ramos, C.A. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica and Universidad Nacional de Cuyo, 8400 San Carlos de Bariloche, Rio Negro (Argentina)], E-mail: cramos@cab.cnea.gov.ar; Laura-Ccahuana, D [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica and Universidad Nacional de Cuyo, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Universidad Nacional de Ingenieria, Av. Tupac Amaru 210, Rimac/Lima 25 (Peru)

    2008-02-15

    The coexistence of magnetic phases seems to be a characteristic of the La-Ca family of in colossal magnetoresistant manganites. We have analyzed this phenomenon in terms of a free energy, F, where magnetic and electronic contributions of two coexistent phases are included. Three order parameters describe the behavior of the mixed material: the magnetization of each phase and the metallic fraction. Due to the coupling between order parameters there is a range: T**{<=}T{<=}T* where coexistence is possible. Values for the phenomenological parameters are obtained from the experiment. In this paper we analyze the effects of an applied magnetic field on the range of T where the phase coexistence takes place, based on results obtained from dc-magnetization and ESR measurements.

  8. Asymmetric electroresistance of cluster glass state in manganites

    KAUST Repository

    Lourembam, James

    2014-03-31

    We report the electrostatic modulation of transport in strained Pr0.65(Ca0.75Sr0.25)0.35MnO3 thin films grown on SrTiO3 by gating with ionic liquid in electric double layer transistors (EDLT). In such manganite films with strong phase separation, a cluster glass magnetic state emerges at low temperatures with a spin freezing temperature of about 99 K, which is accompanied by the reentrant insulating state with high resistance below 30 K. In the EDLT, we observe bipolar and asymmetric modulation of the channel resistance, as well as an enhanced electroresistance up to 200% at positive gate bias. Our results provide insights on the carrier-density-dependent correlated electron physics of cluster glass systems.

  9. Formation of manganite fibers under the directing of cationic surfactant

    International Nuclear Information System (INIS)

    Sun Xiaodan; Kong Xiangdong; Wang Yude; Ma Chunlai; Cui Fuzhai; Li Hengde

    2006-01-01

    The effects of organic molecules on the morphology control of inorganic materials in the process of biomineralization have long been realized. Nowadays, these effects have been utilized to prepare inorganic materials with desired morphologies in different systems. In this paper, manganite (MnOOH) fibers are chemically synthesized under extremely low surfactant (cetyltrimethylammonium bromide CTAB) concentrations at basic conditions. Powder X-ray diffraction (XRD) and transmission electron microscopy (TEM) are used to characterize the products. Characterization of samples aged for different time shows that the formation of MnOOH fibers is intimately related to a layered structured manganese oxide. A corresponding transformation mechanism is proposed based on the experiment results, and it could be inferred that CTAB plays an important directing role in this process

  10. Electronic properties of bromine-doped carbon nanotubes

    CERN Document Server

    Jhi, S H; Cohen, M L

    2002-01-01

    Intercalation of bromine molecules (Br2) into single-wall carbon nanotube (SWNT) ropes is studied using the ab initio pseudopotential density functional method. Electronic and vibrational properties of the SWNT and Br2 are studied for various bromine concentrations. A drastic change in the charge transfer, bromine stretching-mode, and bromine bond-length is observed when the bromine-bromine distance decreases. Calculated electronic structures show that, at high bromine concentrations, the bromine ppsigma level broadens due to the interbromine interaction. These states overlap with the electronic bands of the SWNT near the Fermi level which results in a substantial charge transfer from carbon to bromine.

  11. Fully Atomistic Understanding of the Electronic and Optical Properties of a Prototypical Doped Charge-Transfer Interface

    DEFF Research Database (Denmark)

    Brivio, Gian Paolo; Baby, Anu; Gruenewald, Marco

    2017-01-01

    The current study generates profound atomistic insights into doping-induced changes of the optical and electronic properties of the prototypical PTCDA/Ag(111) interface. For doping K atoms are used, as KxPTCDA/Ag(111) has the distinct advantage of forming well-defined stoichiometric phases...

  12. Strong Depletion in Hybrid Perovskite p-n Junctions Induced by Local Electronic Doping.

    Science.gov (United States)

    Ou, Qingdong; Zhang, Yupeng; Wang, Ziyu; Yuwono, Jodie A; Wang, Rongbin; Dai, Zhigao; Li, Wei; Zheng, Changxi; Xu, Zai-Quan; Qi, Xiang; Duhm, Steffen; Medhekar, Nikhil V; Zhang, Han; Bao, Qiaoliang

    2018-04-01

    A semiconductor p-n junction typically has a doping-induced carrier depletion region, where the doping level positively correlates with the built-in potential and negatively correlates with the depletion layer width. In conventional bulk and atomically thin junctions, this correlation challenges the synergy of the internal field and its spatial extent in carrier generation/transport. Organic-inorganic hybrid perovskites, a class of crystalline ionic semiconductors, are promising alternatives because of their direct badgap, long diffusion length, and large dielectric constant. Here, strong depletion in a lateral p-n junction induced by local electronic doping at the surface of individual CH 3 NH 3 PbI 3 perovskite nanosheets is reported. Unlike conventional surface doping with a weak van der Waals adsorption, covalent bonding and hydrogen bonding between a MoO 3 dopant and the perovskite are theoretically predicted and experimentally verified. The strong hybridization-induced electronic coupling leads to an enhanced built-in electric field. The large electric permittivity arising from the ionic polarizability further contributes to the formation of an unusually broad depletion region up to 10 µm in the junction. Under visible optical excitation without electrical bias, the lateral diode demonstrates unprecedented photovoltaic conversion with an external quantum efficiency of 3.93% and a photodetection responsivity of 1.42 A W -1 . © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Magnetic Properties of Electron-Doped LaCoO3

    Science.gov (United States)

    Tomiyasu, Keisuke; Sato, Mika; Koyama, Shun-Ichi; Nojima, Tsutomu; Kajimoto, Ryoichi; Ji, Sungdae; Iwasa, Kazuaki

    2017-09-01

    We studied electron-doped LaCo1 - yTey6 + O3 by magnetization measurements and neutron scattering. The effective Bohr magneton, estimated by Curie-Weiss fitting around room temperature, is independent of y. This suggests that magnetic Co3+(HS), not nonmagnetic Co3+(LS), is mainly replaced by doped magnetic Co2+(HS). At the lowest temperatures, a Brillouin-function-like saturating behavior persists in the magnetization curves even in the high-y samples, and neither a clear magnetic reflection nor magnetic dispersion is observed by neutron scattering. These findings indicate that the magnetic correlation is very weak, in contrast to the well-known hole-doped LaCoO3 accompanied by a drastic transition to a ferromagnetic metal. However, we also found that the low-y samples exhibit nonnegligible enhancement of the saturated magnetization by ˜2μB per a doped electron. All these characteristics are discussed in the light of the activation and inactivation of a spin-state blockade.

  14. The study of electronic structures and optical properties of Al-doped GaN

    International Nuclear Information System (INIS)

    Li Enling; Hou Liping; Liu Mancang; Xi Meng; Wang Xiqiang; Dai Yuanbin; Li Lisha

    2011-01-01

    The electronic structures and optical properties of undoped and Al-doped GaN (Al x Ga 1-x N, x=0.0625, 0.125, 0.25) have been studied based on generalized gradient approximation (GGA) method of density functional theory (DFT). The differences of the electronic structures and optical properties of undoped and Al-doped GaN have been discussed in detail. The result shows: according to total density of state of undoped and Al-doped GaN, the conduction band becomes width and moves to high energy level with gradual increase concentration of Al impurity. Impurity energy band isn't found in energy band structures of Al x Ga 1-x N, the same as energy band structures of undoped GaN, but the band gaps gradually become wide with increase of Al impurity. Absorption spectra of undoped and Al-doped GaN of main absorption peak moves to high energy level with increase of Al impurity.

  15. Modification of doping front migration in electrochemical devices and application to organic electronics

    International Nuclear Information System (INIS)

    Nolte, Marius; Wan Xianglong; Kopp, Olga; Hermes, Ina; Panz, Jan; Rahmanian, Afsaneh; Knoll, Meinhard

    2011-01-01

    Research highlights: → In this paper we demonstrate several ways of tuning the doping front migration process in polymer electronic multilayer structures for the first time. By altering the migration layer thickness the migration velocity may be controlled and it is possible to switch between migration mechanisms. The mechanism of delamination produces rapid jumps in migration velocity, while the addition of 2-hydroxyethylcellulose (HEC) can inhibit this effect. In case of vapor activation the migration velocity may be influenced by the relative humidity or by varying the concentration of hygroscopic salts added to the migration layer. The migration mechanisms can be explained in terms of diffusion, capillary transport, and delamination. Tuning the migration process may be used to construct polymer electronic structures such as enhancement and depletion type pseudo transistors and electrical switches (ON-OFF and OFF-ON) with an improved switching time of several minutes. The doping front width is determined by microscopic optical absorption spectroscopy and can be controlled by the concentration of the doping solution. In case of low concentrations the electrochromic effect of the double front is observed. - Abstract: We demonstrate several methods of modifying the doping front migration process in multilayer structures, enabling control of migration velocity and switching between different migration mechanisms. Sharp jumps in migration velocity may be induced using a delamination effect. The influence of migration layer thickness and composition is examined. Migration velocity may also be influenced by exposing the system to a defined relative humidity or by varying the concentration of a hygroscopic salt in the migration layer. The migration mechanisms can be explained in terms of diffusion, capillary transport, and delamination. By tailoring the migration process a variety of polymer electronic structures such as pseudo transistors (enhancement and depletion

  16. Influence of Mn site doping on electrical resistivity of polycrystalline La1-yAyMn1-xBxO3 (A=Ba, Sr; B=Cu, Cr, Co Manganites

    Directory of Open Access Journals (Sweden)

    Paunović N.

    2008-01-01

    Full Text Available We have the measured electrical resistivity of La1-yBayMn1-xCuxO3 (0.17≤y≤0.30; 0.04≤x≤0.10, La1-ySryMn1-xCrxO3 and La1-ySryMn1-xCoxO3 (0.270≤y≤0.294; 0.02≤x≤0.10 polycrystalline samples in the 25-325 K temperature range. The increase of Mn site doping concentration leads to an increase of the electrical resistivity of the samples and the appearance of a “double-peak” structure in the electrical resistivity versus temperature graphs. The first peak represents the insulator-metal transition in vicinity of the paramagnetic-ferromagnetic transition (TC. We have found that the intensity of the second peak increases with an increase of concentration of Mn substituents, due to the hole scattering by the random potential of the Mn site impurities.

  17. Electronic and optical properties of doped oxides for energy conversion

    International Nuclear Information System (INIS)

    Silva, Antonio Ferreira da

    2016-01-01

    Full text: Photocatalytic materials have gained remarkable attention in the field of solar fuel production, which is a promising approach for efficient solar energy conversion and storage . Among other oxides, doped BiNb(Ta)O 4 , ZnO , SnO 2 , WO 3 and TiO 2 have been identified as potential photocatalytic materials due to their appropriate band gap energies. We have used high quality materials as for instance by the citrate method according to reference [1], a modified ion beam assisted deposition technique [2] and as titanium dioxide nanotubes (TiO 2 -NTs) arrays synthesized by electrochemical anodization [3]. We present the optical properties spectra of these materials using the X-ray Photoelectron Spectroscopy (XPS), Ellipsometry and first principles approach by DFT respectively [1,2]. In this work, position of reduction and oxidation level with respect to the vacuum level are identified for these materials. We can conclude that some of them are good candidates for the production of hydrogen by splitting of water in the presence of sunlight and for efficient solar energy conversion as well. [1] C. G. Almeida, R. B. Araujo, R. G. Yoshimura, A. J. S. Mascarenhas, A. Ferreira da Silva, C. M.Araujo, L. A. Silva,Int. J. Hyd. Energy 39, 1220 (2014). [2] M. Kumar, G.Baldissera, C.Persson, D.G.F.David ,M.V.S.da Silva , J.A.Freitas Jr., J.G. Tischler , J.F.D.Chubaci, M.Matsuoka , A.Ferreira da Silva, , J. of Crystal Growth 403, 124 (2014). [3] J. R. Gonzalez et all., Nanotechnology (2016 in press). (author)

  18. Electronic and optical properties of doped oxides for energy conversion

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Antonio Ferreira da, E-mail: ferreira.fis@gmail.com [Universidade Federal da Bahia (UFBA), Salvador (Brazil)

    2016-07-01

    Full text: Photocatalytic materials have gained remarkable attention in the field of solar fuel production, which is a promising approach for efficient solar energy conversion and storage . Among other oxides, doped BiNb(Ta)O{sub 4}, ZnO , SnO{sub 2}, WO{sub 3} and TiO{sub 2} have been identified as potential photocatalytic materials due to their appropriate band gap energies. We have used high quality materials as for instance by the citrate method according to reference [1], a modified ion beam assisted deposition technique [2] and as titanium dioxide nanotubes (TiO{sub 2}-NTs) arrays synthesized by electrochemical anodization [3]. We present the optical properties spectra of these materials using the X-ray Photoelectron Spectroscopy (XPS), Ellipsometry and first principles approach by DFT respectively [1,2]. In this work, position of reduction and oxidation level with respect to the vacuum level are identified for these materials. We can conclude that some of them are good candidates for the production of hydrogen by splitting of water in the presence of sunlight and for efficient solar energy conversion as well. [1] C. G. Almeida, R. B. Araujo, R. G. Yoshimura, A. J. S. Mascarenhas, A. Ferreira da Silva, C. M.Araujo, L. A. Silva,Int. J. Hyd. Energy 39, 1220 (2014). [2] M. Kumar, G.Baldissera, C.Persson, D.G.F.David ,M.V.S.da Silva , J.A.Freitas Jr., J.G. Tischler , J.F.D.Chubaci, M.Matsuoka , A.Ferreira da Silva, , J. of Crystal Growth 403, 124 (2014). [3] J. R. Gonzalez et all., Nanotechnology (2016 in press). (author)

  19. Highly Al-doped TiO{sub 2} nanoparticles produced by Ball Mill Method: structural and electronic characterization

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Desireé M. de los, E-mail: desire.delossantos@uca.es; Navas, Javier, E-mail: javier.navas@uca.es; Sánchez-Coronilla, Antonio; Alcántara, Rodrigo; Fernández-Lorenzo, Concha; Martín-Calleja, Joaquín

    2015-10-15

    Highlights: • Highly Al-doped TiO{sub 2} nanoparticles were synthesized using a Ball Mill Method. • Al doping delayed anatase to rutile phase transformation. • Al doping allow controlling the structural and electronic properties of nanoparticles. - Abstract: This study presents an easy method for synthesizing highly doped TiO{sub 2} nanoparticles. The Ball Mill method was used to synthesize pure and Al-doped titanium dioxide, with an atomic percentage up to 15.7 at.% Al/(Al + Ti). The samples were annealed at 773 K, 973 K and 1173 K, and characterized using ICP-AES, XRD, Raman spectroscopy, FT-IR, TG, STEM, XPS, and UV–vis spectroscopy. The effect of doping and the calcination temperature on the structure and properties of the nanoparticles were studied. The results show high levels of internal doping due to the substitution of Ti{sup 4+} ions by Al{sup 3+} in the TiO{sub 2} lattice. Furthermore, anatase to rutile transformation occurs at higher temperatures when the percentage of doping increases. Therefore, Al doping allows us to control the structural and electronic properties of the nanoparticle synthesized. So, it is possible to obtain nanoparticles with anatase as predominant phase in a higher range of temperature.

  20. Highly Al-doped TiO2 nanoparticles produced by Ball Mill Method: structural and electronic characterization

    International Nuclear Information System (INIS)

    Santos, Desireé M. de los; Navas, Javier; Sánchez-Coronilla, Antonio; Alcántara, Rodrigo; Fernández-Lorenzo, Concha; Martín-Calleja, Joaquín

    2015-01-01

    Highlights: • Highly Al-doped TiO 2 nanoparticles were synthesized using a Ball Mill Method. • Al doping delayed anatase to rutile phase transformation. • Al doping allow controlling the structural and electronic properties of nanoparticles. - Abstract: This study presents an easy method for synthesizing highly doped TiO 2 nanoparticles. The Ball Mill method was used to synthesize pure and Al-doped titanium dioxide, with an atomic percentage up to 15.7 at.% Al/(Al + Ti). The samples were annealed at 773 K, 973 K and 1173 K, and characterized using ICP-AES, XRD, Raman spectroscopy, FT-IR, TG, STEM, XPS, and UV–vis spectroscopy. The effect of doping and the calcination temperature on the structure and properties of the nanoparticles were studied. The results show high levels of internal doping due to the substitution of Ti 4+ ions by Al 3+ in the TiO 2 lattice. Furthermore, anatase to rutile transformation occurs at higher temperatures when the percentage of doping increases. Therefore, Al doping allows us to control the structural and electronic properties of the nanoparticle synthesized. So, it is possible to obtain nanoparticles with anatase as predominant phase in a higher range of temperature

  1. A computational study on tuning the field emission and electronic properties of BN nanocones by impurity atom doping

    Science.gov (United States)

    Ahmadi, S.; Delir Kheirollahi Nezhad, P.; Hosseinian, A.; Vessally, E.

    2018-06-01

    We have inspected the effect of substituting a boron or nitrogen atom of a BN nanocone (BNNC) by two impurity atoms with lower and higher atomic numbers based on the density functional theory calculations. Our results explain the experimental observations in a molecular level. Orbital and partial density of states analyses show that the doping processes increase the electrical conductivity by creating new states within the gap of BNNC as follows: BeB > ON > CB > CN. The electron emission current from the surface of BNNC is improved after the CB and BeB dopings, and it is decreased by CN and ON dopings. The BeB and CN dopings make the BNNC a p-type semiconductor and the CB and ON dopings make it an n-type one in good agreement with the experimental results. The ON and BeB doping processes are suggested for the field emission current, and electrical conductivity enhancement, respectively.

  2. Electronic and magnetic properties of digitally Ti doped InP: A first principles study

    International Nuclear Information System (INIS)

    Rahman, Gul; Cho, Sunglae; Hong, Soon Cheol

    2008-01-01

    Using the full-potential linearized augmented plane wave method within the generalized gradient approximation, we study the electronic and the magnetic properties of digitally Ti doped InP. It is quite interesting that digitally Ti-doped InP system shows half metallic ferromagnetism even though both bulk zinc blende TiP and InP are paramagnetic. We also investigate the electronic and the magnetic properties as a function of spacer layer thickness. Their properties such as exchange coupling constant and atomic projected density of states are more or less independent of the InP thickness. Spin density contour maps indicate that the spin-polarization is confined within the TiP plane. The system may show a highly anisotropic property in spin-polarized transport. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Structural and electronic properties of a single C chain doped zigzag BN nanoribbons

    International Nuclear Information System (INIS)

    Wu, Ping; Wang, Qianwen; Cao, Gengyu; Tang, Fuling; Huang, Min

    2014-01-01

    The effects of single C-chain on the stability, structural and electronic properties of zigzag BN nanoribbons (ZBNNRs) were investigated by first-principles calculations. C-chain was expected to dope at B-edge for all the ribbon widths N z considered. The band gaps of C-chain doped N z -ZBNNR are narrower than that of perfect ZBNNR due to new localized states induced by C-chain. The band gaps of N z -ZBNNR-C(n) are direct except for the case of C-chain position n=2. Band gaps of BN nanoribbons are tunable by C-chain and its position n, which may endow the potential applications of BNNR in electronics.

  4. Doping the Copper-Oxygen Planes with Electrons: The View with Photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Armitage, Norman P.

    2002-03-07

    The undoped parent compounds of high-temperature cuprate superconductors are known to be antiferromagnetic Mott insulators. As the CuO{sub 2} planes are doped with charge carriers, the antiferromagnetic phase subsides and superconductivity emerges. The symmetry, or the lack thereof, between doping with electrons (n-type) or holes (p-type) has important theoretical implications as most models implicitly assume symmetry. However, most of what we know about these superconductors comes from experiments performed on p-type materials. The much fewer number of measurements from n-type compounds suggest that there may be both commonalities and differences between the two sides of the phase diagram. This issue of electron/hole symmetry has not been seriously discussed, perhaps, because the experimental database of n-type results is very limited.

  5. Enhancement of Perovskite Solar Cells Efficiency using N-Doped TiO2 Nanorod Arrays as Electron Transfer Layer.

    Science.gov (United States)

    Zhang, Zhen-Long; Li, Jun-Feng; Wang, Xiao-Li; Qin, Jian-Qiang; Shi, Wen-Jia; Liu, Yue-Feng; Gao, Hui-Ping; Mao, Yan-Li

    2017-12-01

    In this paper, N-doped TiO 2 (N-TiO 2 ) nanorod arrays were synthesized with hydrothermal method, and perovskite solar cells were fabricated using them as electron transfer layer. The solar cell performance was optimized by changing the N doping contents. The power conversion efficiency of solar cells based on N-TiO 2 with the N doping content of 1% (N/Ti, atomic ratio) has been achieved 11.1%, which was 14.7% higher than that of solar cells based on un-doped TiO 2 . To get an insight into the improvement, some investigations were performed. The structure was examined with X-ray powder diffraction (XRD), and morphology was examined by scanning electron microscopy (SEM). Energy dispersive spectrometer (EDS) and Tauc plot spectra indicated the incorporation of N in TiO 2 nanorods. Absorption spectra showed higher absorption of visible light for N-TiO 2 than un-doped TiO 2 . The N doping reduced the energy band gap from 3.03 to 2.74 eV. The photoluminescence (PL) and time-resolved photoluminescence (TRPL) spectra displayed the faster electron transfer from perovskite layer to N-TiO 2 than to un-doped TiO 2 . Electrochemical impedance spectroscopy (EIS) showed the smaller resistance of device based on N-TiO 2 than that on un-doped TiO 2 .

  6. Study of structural and electronic transport properties of Ce-doped ...

    Indian Academy of Sciences (India)

    Abstract. The structural and electronic transport properties of La1−x Cex MnO3 (x =0.0–1.0) have been studied. All the samples exhibit orthorhombic crystal symmetry and the unit cell volume de- creases with Ce doping. They also make a metal–insulator transition (MIT) and transition temper- ature increases with increase in ...

  7. Resonant x-ray scattering in manganites: study of the orbital degree of freedom

    International Nuclear Information System (INIS)

    Ishihara, Sumio; Maekawa, Sadamichi

    2002-01-01

    The orbital degree of freedom of electrons and its interplay with spin, charge and lattice degrees of freedom are some of the central issues in colossal magnetoresistive manganites. The orbital degree of freedom has until recently remained hidden, since it does not couple directly to most experimental probes. Development of synchrotron light sources has changed the situation; by the resonant x-ray scattering (RXS) technique the orbital ordering has successfully been observed. In this article, we review progress in the recent studies of RXS in manganites. We start with a detailed review of the RXS experiments applied to the orbital-ordered manganites and other correlated electron systems. We derive the scattering cross section of RXS, where the tensor character of the atomic scattering factor (ASF) with respect to the x-ray polarization is stressed. Microscopic mechanisms of the anisotropic tensor character of the ASF are introduced and numerical results of the ASF and the scattering intensity are presented. The azimuthal angle scan is a unique experimental method to identify RXS from the orbital degree of freedom. A theory of the azimuthal angle and polarization dependence of the RXS intensity is presented. The theoretical results show good agreement with the experiments in manganites. Apart from the microscopic description of the ASF, a theoretical framework of RXS to relate directly to the 3d orbital is presented. The scattering cross section is represented by the correlation function of the pseudo-spin operator for the orbital degree of freedom. A theory is extended to the resonant inelastic x-ray scattering and methods to observe excitations of the orbital degree of freedom are proposed. (author)

  8. Electron transport due to inhomogeneous broadening and its potential impact on modulation speed in p-doped quantum dot lasers

    International Nuclear Information System (INIS)

    Deppe, D G; Freisem, S; Huang, H; Lipson, S

    2005-01-01

    Data are first presented on spontaneous and laser emission of p-doped and undoped quantum dot (QD) heterostructures to characterize the increase in optical gain in p-type modulation doped QD lasers. Because the increase in gain due to p-doping should also increase the differential gain, but does not greatly increase the modulation speed in present p-doped QD lasers, we further examine nonequilibrium electron transport effects in p-doped active material that may still limit the modulation speed. Electron transport through the dot wetting layer caused by the nonlasing QDs of the active ensemble is shown to be capable of substantially reducing the modulation speed, independent of the differential gain. This nonequilibrium limitation can be eliminated by reducing the inhomogeneous broadening in the QD ensemble

  9. Tuning the electronic properties of armchair carbon nanoribbons by a selective boron doping

    International Nuclear Information System (INIS)

    Navarro-Santos, P; Ricardo-Chavez, J L; Lopez-Sandoval, R; Reyes-Reyes, M; Rivera, J L

    2010-01-01

    Armchair carbon nanoribbons (ACNRs) substitutionally doped with boron atoms are investigated in the framework of first-principles density functional theory. Different boron-boron arrangements and concentrations are considered in order to simulate possible aggregation patterns, their structural stability and electronic behavior are determined as a function of ribbon size. In agreement with previous studies, our results show that the dopant atoms have in general a preference for edge sites, but specific effects appear as a function of concentration that importantly modify the properties of the ribbons compared to the pristine case. Interesting tendencies are discovered as a function of dopant concentration that significantly affect the electronic properties of the ribbons. We have found that BC 3 island formation and edge doping are the most important factors for the structural stabilization of the ribbons with high boron concentration (>7%) whereas for the cases of low boron concentrations ( 3 island patterns give rise to highly localized B states on top of the Fermi level, resulting in semiconducting behavior. On the other hand, when the average distance between the B atoms increases beyond island stoichiometry, the localization of their states is reduced and the ribbons may become metallic due to a band crossing caused by the lowering of the Fermi level resulting from the positive charge doping. Thus, tuning the dopant interaction would be an appropriate way to tailor the electronic properties of the ribbons in a convenient manner in view of potential technological applications.

  10. Implications of orbital hybridization on the electronic properties of doped quantum dots: the case of Cu:CdSe

    Science.gov (United States)

    Wright, Joshua T.; Forsythe, Kyle; Hutchins, Jamie; Meulenberg, Robert W.

    2016-04-01

    This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of these materials. This information provides insights into many of the physical properties of doped QDs, including the highly debated near-infrared photoluminescence in Cu doped CdSe QDs. We show that all our results point to a common theme of orbital hybridization in Cu doped CdSe QDs which leads to optically and electronically active states below the conduction band minimum. Our model is supported from current-voltage measurements of doped and undoped materials, which exhibit Schottky to Ohmic behavior with Cu doping, suggestive of a tuning of the lowest energy states near the Fermi level.This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of

  11. The Electronic Properties of O-Doped Pure and Sulfur Vacancy-Defect Monolayer WS₂: A First-Principles Study.

    Science.gov (United States)

    Wang, Weidong; Bai, Liwen; Yang, Chenguang; Fan, Kangqi; Xie, Yong; Li, Minglin

    2018-01-31

    Based on the density functional theory (DFT), the electronic properties of O-doped pure and sulfur vacancy-defect monolayer WS₂ are investigated by using the first-principles method. For the O-doped pure monolayer WS₂, four sizes (2 × 2 × 1, 3 × 3 × 1, 4 × 4 × 1 and 5 × 5 × 1) of supercell are discussed to probe the effects of O doping concentration on the electronic structure. For the 2 × 2 × 1 supercell with 12.5% O doping concentration, the band gap of O-doped pure WS₂ is reduced by 8.9% displaying an indirect band gap. The band gaps in 3 × 3 × 1 and 4 × 4 × 1 supercells are both opened to some extent, respectively, for 5.55% and 3.13% O doping concentrations, while the band gap in 5 × 5 × 1 supercell with 2.0% O doping concentration is quite close to that of the pure monolayer WS₂. Then, two typical point defects, including sulfur single-vacancy (V S ) and sulfur divacancy (V 2S ), are introduced to probe the influences of O doping on the electronic properties of WS₂ monolayers. The observations from DFT calculations show that O doping can broaden the band gap of monolayer WS₂ with V S defect to a certain degree, but weaken the band gap of monolayer WS₂ with V 2S defect. Doping O element into either pure or sulfur vacancy-defect monolayer WS₂ cannot change their band gaps significantly, however, it still can be regarded as a potential method to slightly tune the electronic properties of monolayer WS₂.

  12. Very heavily electron-doped CrSi2 as a high-performance high-temperature thermoelectric material

    International Nuclear Information System (INIS)

    Parker, David; Singh, David J

    2012-01-01

    We analyze the thermoelectric behavior, using first principles and Boltzmann transport calculations, of very heavily electron-doped CrSi 2 and find that at temperatures of 900-1250 K and electron dopings of 1-4 × 10 21 cm -3 , thermopowers as large in magnitude as 200 μV K -1 may be found. Such high thermopowers at such high carrier concentrations are extremely rare, and suggest that excellent thermoelectric performance may be found in these ranges of temperature and doping. (paper)

  13. Electronic structures and three-dimensional effects of boron-doped carbon nanotubes

    International Nuclear Information System (INIS)

    Koretsune, Takashi; Saito, Susumu

    2008-01-01

    We study boron-doped carbon nanotubes by first-principles methods based on the density functional theory. To discuss the possibility of superconductivity, we calculate the electronic band structure and the density of states (DOS) of boron-doped (10,0) nanotubes by changing the boron density. It is found that the Fermi level density of states D(ε F ) increases upon lowering the boron density. This can be understood in terms of the rigid band picture where the one-dimensional van Hove singularity lies at the edge of the valence band in the DOS of the pristine nanotube. The effect of three-dimensionality is also considered by performing the calculations for bundled (10,0) nanotubes and boron-doped double-walled carbon nanotubes (10,0)/(19,0). From the calculation of the bundled nanotubes, it is found that interwall dispersion is sufficiently large to broaden the peaks of the van Hove singularity in the DOS. Thus, to achieve the high D(ε F ) using the bundle of nanotubes with single chirality, we should take into account the distance from each nanotube. In the case of double-walled carbon nanotubes, we find that the holes introduced to the inner tube by boron doping spread also on the outer tube, while the band structure of each tube remains almost unchanged.

  14. Application of Degenerately Doped Metal Oxides in the Study of Photoinduced Interfacial Electron Transfer.

    Science.gov (United States)

    Farnum, Byron H; Morseth, Zachary A; Brennaman, M Kyle; Papanikolas, John M; Meyer, Thomas J

    2015-06-18

    Degenerately doped In2O3:Sn semiconductor nanoparticles (nanoITO) have been used to study the photoinduced interfacial electron-transfer reactivity of surface-bound [Ru(II)(bpy)2(4,4'-(PO3H2)2-bpy)](2+) (RuP(2+)) molecules as a function of driving force over a range of 1.8 eV. The metallic properties of the ITO nanoparticles, present within an interconnected mesoporous film, allowed for the driving force to be tuned by controlling their Fermi level with an external bias while their optical transparency allowed for transient absorption spectroscopy to be used to monitor electron-transfer kinetics. Photoinduced electron transfer from excited-state -RuP(2+*) molecules to nanoITO was found to be dependent on applied bias and competitive with nonradiative energy transfer to nanoITO. Back electron transfer from nanoITO to oxidized -RuP(3+) was also dependent on the applied bias but without complication from inter- or intraparticle electron diffusion in the oxide nanoparticles. Analysis of the electron injection kinetics as a function of driving force using Marcus-Gerischer theory resulted in an experimental estimate of the reorganization energy for the excited-state -RuP(3+/2+*) redox couple of λ* = 0.83 eV and an electronic coupling matrix element, arising from electronic wave function overlap between the donor orbital in the molecule and the acceptor orbital(s) in the nanoITO electrode, of Hab = 20-45 cm(-1). Similar analysis of the back electron-transfer kinetics yielded λ = 0.56 eV for the ground-state -RuP(3+/2+) redox couple and Hab = 2-4 cm(-1). The use of these wide band gap, degenerately doped materials provides a unique experimental approach for investigating single-site electron transfer at the surface of oxide nanoparticles.

  15. Suppression of Electron Spin Relaxation in Mn-Doped GaAs

    Science.gov (United States)

    Astakhov, G. V.; Dzhioev, R. I.; Kavokin, K. V.; Korenev, V. L.; Lazarev, M. V.; Tkachuk, M. N.; Kusrayev, Yu. G.; Kiessling, T.; Ossau, W.; Molenkamp, L. W.

    2008-08-01

    We report a surprisingly long spin relaxation time of electrons in Mn-doped p-GaAs. The spin relaxation time scales with the optical pumping and increases from 12 ns in the dark to 160 ns upon saturation. This behavior is associated with the difference in spin relaxation rates of electrons precessing in the fluctuating fields of ionized or neutral Mn acceptors, respectively. For the latter, the antiferromagnetic exchange interaction between a Mn ion and a bound hole results in a partial compensation of these fluctuating fields, leading to the enhanced spin memory.

  16. Tuning the electronic properties of armchair carbon nanoribbons by a selective boron doping

    Energy Technology Data Exchange (ETDEWEB)

    Navarro-Santos, P; Ricardo-Chavez, J L; Lopez-Sandoval, R [Instituto Potosino de Investigacion Cientifica y Tecnologica, Camino a la presa San Jose 2055, San Luis Potosi 78216 (Mexico); Reyes-Reyes, M [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, San Luis Potosi 78000 (Mexico); Rivera, J L, E-mail: sandov@ipicyt.edu.m [Facultad de Ingenieria Quimica, Universidad Michoacana de San Nicolas de Hidalgo, Santiago Tapia 403, Morelia, Michoacan, 58000 (Mexico)

    2010-12-22

    Armchair carbon nanoribbons (ACNRs) substitutionally doped with boron atoms are investigated in the framework of first-principles density functional theory. Different boron-boron arrangements and concentrations are considered in order to simulate possible aggregation patterns, their structural stability and electronic behavior are determined as a function of ribbon size. In agreement with previous studies, our results show that the dopant atoms have in general a preference for edge sites, but specific effects appear as a function of concentration that importantly modify the properties of the ribbons compared to the pristine case. Interesting tendencies are discovered as a function of dopant concentration that significantly affect the electronic properties of the ribbons. We have found that BC{sub 3} island formation and edge doping are the most important factors for the structural stabilization of the ribbons with high boron concentration (>7%) whereas for the cases of low boron concentrations (<5%) the structural stabilities are similar. For all the doped cases, we have found that the BC{sub 3} island patterns give rise to highly localized B states on top of the Fermi level, resulting in semiconducting behavior. On the other hand, when the average distance between the B atoms increases beyond island stoichiometry, the localization of their states is reduced and the ribbons may become metallic due to a band crossing caused by the lowering of the Fermi level resulting from the positive charge doping. Thus, tuning the dopant interaction would be an appropriate way to tailor the electronic properties of the ribbons in a convenient manner in view of potential technological applications.

  17. Nanostructured PLD-grown gadolinia doped ceria: Chemical and structural characterization by transmission electron microscopy techniques

    DEFF Research Database (Denmark)

    Rodrigo, Katarzyna Agnieszka; Wang, Hsiang-Jen; Heiroth, Sebastian

    2011-01-01

    The morphology as well as the spatially resolved elemental and chemical characterization of 10 mol% gadolinia doped ceria (CGO10) structures prepared by pulsed laser deposition (PLD) technique are investigated by scanning transmission electron microscopy accompanied with electron energy loss spec......, indicate apparent variation of the ceria valence state across and along the film. No element segregation to the grain boundaries is detected. These results are discussed in the context of solid oxide fuel cell applications.......The morphology as well as the spatially resolved elemental and chemical characterization of 10 mol% gadolinia doped ceria (CGO10) structures prepared by pulsed laser deposition (PLD) technique are investigated by scanning transmission electron microscopy accompanied with electron energy loss...... spectroscopy and energy dispersive X-ray spectroscopy. A dense, columnar and structurally inhomogeneous CGO10 film, i.e. exhibiting grain size refinement across the film thickness, is obtained in the deposition process. The cerium M4,5 edges, used to monitor the local electronic structure of the grains...

  18. Anisotropic imprint of amorphization and phase separation in manganite thin films via laser interference irradiation

    KAUST Repository

    Ding, Junfeng; Lin, Zhipeng; Wu, Jianchun; Dong, Zhili; Wu, Tao

    2014-01-01

    Materials with mesoscopic structural and electronic phase separation, either inherent from synthesis or created via external means, are known to exhibit functionalities absent in the homogeneous counterparts. One of the most notable examples is the colossal magnetoresistance discovered in mixed-valence manganites, where the coexistence of nano-to micrometer-sized phase-separated domains dictates the magnetotransport. However, it remains challenging to pattern and process such materials into predesigned structures and devices. In this work, a direct laser interference irradiation (LII) method is employed to produce periodic stripes in thin films of a prototypical phase-separated manganite Pr0.65(Ca0.75Sr0.25)0.35MnO3 (PCSMO). LII induces selective structural amorphization within the crystalline PCSMO matrix, forming arrays with dimensions commensurate with the laser wavelength. Furthermore, because the length scale of LII modification is compatible to that of phase separation in PCSMO, three orders of magnitude of increase in magnetoresistance and significant in-plane transport anisotropy are observed in treated PCSMO thin films. Our results show that LII is a rapid, cost-effective and contamination-free technique to tailor and improve the physical properties of manganite thin films, and it is promising to be generalized to other functional materials.

  19. Anisotropic imprint of amorphization and phase separation in manganite thin films via laser interference irradiation

    KAUST Repository

    Ding, Junfeng

    2014-09-16

    Materials with mesoscopic structural and electronic phase separation, either inherent from synthesis or created via external means, are known to exhibit functionalities absent in the homogeneous counterparts. One of the most notable examples is the colossal magnetoresistance discovered in mixed-valence manganites, where the coexistence of nano-to micrometer-sized phase-separated domains dictates the magnetotransport. However, it remains challenging to pattern and process such materials into predesigned structures and devices. In this work, a direct laser interference irradiation (LII) method is employed to produce periodic stripes in thin films of a prototypical phase-separated manganite Pr0.65(Ca0.75Sr0.25)0.35MnO3 (PCSMO). LII induces selective structural amorphization within the crystalline PCSMO matrix, forming arrays with dimensions commensurate with the laser wavelength. Furthermore, because the length scale of LII modification is compatible to that of phase separation in PCSMO, three orders of magnitude of increase in magnetoresistance and significant in-plane transport anisotropy are observed in treated PCSMO thin films. Our results show that LII is a rapid, cost-effective and contamination-free technique to tailor and improve the physical properties of manganite thin films, and it is promising to be generalized to other functional materials.

  20. Strain-mediated electronic properties of pristine and Mn-doped GaN monolayers

    Science.gov (United States)

    Sharma, Venus; Srivastava, Sunita

    2018-04-01

    Graphene-like two-dimensional (2D) monolayer structures GaN has gained enormous amount of interest due to high thermal stability and inherent energy band gap for practical applications. First principles calculations are performed to investigate the electronic structure and strain-mediated electronic properties of pristine and Mn-doped GaN monolayer. Binding energy of Mn dopant at various adsorption site is found to be nearly same indicating these sites to be equally favorable for adsorption of foreign atom. Depending on the adsorption site, GaN monolayer can act as p-type or n-type magnetic semiconductor. The tensile strength of both pristine and doped GaN monolayer (∼24 GPa) at ultimate tensile strain of 34% is comparable with the tensile strength of graphene. The in-plane biaxial strain modulate the energy band gap of both pristine and doped-monolayer from direct to indirect gap semiconductor and finally retendered theme into metal at critical value of applied strain. These characteristics make GaN monolayer to be potential candidate for the future applications in tunable optoelectronics.

  1. Spin-state blockade in Te6+-substituted electron-doped LaCoO3

    Science.gov (United States)

    Tomiyasu, Keisuke; Koyama, Shun-Ichi; Watahiki, Masanori; Sato, Mika; Nishihara, Kazuki; Onodera, Mitsugi; Iwasa, Kazuaki; Nojima, Tsutomu; Yamasaki, Yuuichi; Nakao, Hironori; Murakami, Youichi

    2015-03-01

    Perovskite-type LaCoO3 (Co3+: d6) is a rare inorganic material with sensitive and characteristic responses among low, intermediate, and high spin states. For example, in insulating nonmagnetic low-spin states below about 20 K, light hole doping (Ni substitution) induces much larger magnetization than expected; over net 10μB/hole (5μB/Ni) for 1μB/hole (1μB/Ni), in which the nearly isolated dopants locally change the surrounding Co low-spin states to magnetic ones and form spin molecules with larger total spin. Further, the former is isotropic, whereas the latter exhibits characteristic anisotropy probably because of Jahn-Teller distortion. In contrast, for electron doping, relatively insensitive spin-state responses were reported, as in LaCo(Ti4+) O3, but are not clarified, and are somewhat controversial. Here, we present macroscopic measurement data of another electron-doped system LaCo(Te6+) O3 and discuss the spin-state responses. This study was financially supported by Grants-in-Aid for Young Scientists (B) (No. 22740209 and 26800174) from the MEXT of Japan.

  2. Electronic structure of O-doped SiGe calculated by DFT + U method

    Science.gov (United States)

    Zhao, Zong-Yan; Yang, Wen; Yang, Pei-Zhi

    2016-12-01

    To more in depth understand the doping effects of oxygen on SiGe alloys, both the micro-structure and properties of O-doped SiGe (including: bulk, (001) surface, and (110) surface) are calculated by DFT + U method in the present work. The calculated results are as follows. (i) The (110) surface is the main exposing surface of SiGe, in which O impurity prefers to occupy the surface vacancy sites. (ii) For O interstitial doping on SiGe (110) surface, the existences of energy states caused by O doping in the band gap not only enhance the infrared light absorption, but also improve the behaviors of photo-generated carriers. (iii) The finding about decreased surface work function of O-doped SiGe (110) surface can confirm previous experimental observations. (iv) In all cases, O doing mainly induces the electronic structures near the band gap to vary, but is not directly involved in these variations. Therefore, these findings in the present work not only can provide further explanation and analysis for the corresponding underlying mechanism for some of the experimental findings reported in the literature, but also conduce to the development of μc-SiGe-based solar cells in the future. Project supported by the Natural Science Foundation of Yunnan Province, China (Grant No. 2015FB123), the 18th Yunnan Province Young Academic and Technical Leaders Reserve Talent Project, China (Grant No. 2015HB015), and the National Natural Science Foundation of China (Grant No. U1037604).

  3. Photon-mediated electron multiplication in liquid xenon doped with trimethylamine

    International Nuclear Information System (INIS)

    Sano, Toshio; Ashikaga, Kinya; Doke, Tadayoshi; Hitachi, Akira; Kikuchi, Jun; Masuda, Kimiaki; Okumura, Yasuaki

    1989-01-01

    Electron multiplication mediated by photons has been observed in liquid xenon doped with trimethylamine in concentrations of 0, 9.3, 43, 118 and 400 ppm. The effect was observed by irradiating a single wire counter with 1 MeV electrons and gamma rays from 207 Bi sources. The multiplication factor was observed to increase from a value of 23 at a concentration of 9.3 ppm to a value of 45 at a concentration of 118 ppm. Over the same range of concentrations, the threshold anode voltage for photon-mediated electron multiplication (PMEM) decreased from 2.5 to 1.4 kV and the PMEM results in a deterioration of energy resolution. At a concentration of 400 ppm, the resulting electron multiplication was neither stable nor reproducible. (orig.)

  4. Orientation-dependent low field magnetic anomalies and room-temperature spintronic material – Mn doped ZnO films by aerosol spray pyrolysis

    CSIR Research Space (South Africa)

    Nkosi, SS

    2013-12-01

    Full Text Available of ferromagnetism, a relatively new phenomenon called “low-field microwave absorption” has been observed in ferromagnetic materials and other various materials such as high temperature superconductors, ferrites, manganites, doped silicate glasses and soft... absorption phenomenon has been observed in ferromagnetic materials and various other materials such as superconductors, ferrites, manganites, semiconductors, doped silicate glasses, in soft materials and recently in iron monosilicides films [41- 46...

  5. Field-swept pulsed electron paramagnetic resonance of Cr3+-doped ZBLAN fluoride glass

    International Nuclear Information System (INIS)

    Drew, S.C.; Pilbrow, J.R.; Newman, P.J.; MacFarlane, D.R.

    2001-01-01

    Field-swept pulsed electron paramagnetic resonance (EPR) spectra of a ZBLAN fluoride glass doped with a low concentration of Cr 3+ are obtained using echo-detected EPR and hole-burning free induction decay detection. We review the utility of the pulsed EPR technique in generating field-swept EPR spectra, as well as some of the distorting effects that are peculiar to the pulsed detection method. The application of this technique to Cr 3+ -doped ZBLAN reveals that much of the broad resonance extending from g eff =5.1 to g eff =1.97, characteristic of X-band continuous wave EPR of Cr 3+ in glasses, is absent. We attribute this largely to the variation in nutation frequencies across the spectrum that result from sites possessing large fine structure interactions. The description of the spin dynamics of such sites is complicated and we discuss some possible approaches to the simulation of the pulsed EPR spectra. (author)

  6. Influence of Sc doping concentration on electronic structure and optical properties of ZnO

    International Nuclear Information System (INIS)

    Wu Yuxi; Zhang Hao; Han Long; Qu Licheng; Gu Shulin; Li Teng

    2011-01-01

    In this paper, we adopt the density functional theory (DFT) plane wave pseudopotential method to study the crystal structure, electronic structure and optical property for the different concentrations of Sc doped ZnO system. We optimize the structure of Sc and get the basis of numerical simulation. The results show that with the adoption of Sc, the lattice constants of the system increase gradually, the energy of the system becomes larger, the Fermi level enters into the conduction band, the system shows Metallic gradually and the band gap becomes wider. On the other hand, certain changes of the optical properties of doped ZnO have taken place, i. e., a new absorption peak happens in ZnO absorption spectrum and the blue shift of absorption edge with the new peak occurs in the imagery part of dielectric function. (authors)

  7. The defects produced by electron irradiation in tellurium-doped germanium

    International Nuclear Information System (INIS)

    Fukuoka, Noboru; Saito, Haruo

    1989-01-01

    The nature of the irradiation induced defects in a germanium single crystal doped with tellurium was studied by DLTS and electrical measurements. The E c -0.21 eV level produced by irradiation with 1.5 MeV electrons was studied using the DLTS technique. It was found that the defect associated with this level is a divacancy. The E-center like defect (group V impurity-vacancy pair) introduces the E c -0.20 eV level in samples doped with a group V impurity. The level introduced by a tellurium (group VI impurity)-vacancy pair is deeper. The E c -0.16 eV level was generated by annealing at 430 K. A tellurium-vacancies complex is proposed as the defect associated with this level. (author)

  8. Electronic structure and magnetic properties of Sc doped EuO thin films

    Energy Technology Data Exchange (ETDEWEB)

    Reisner, Andreas; Altendorf, Simone; Chang, Chun-Fu; Tjeng, Liu Hao [Max-Planck-Institute for Chemical Physics of Solids, Noethnitzer Str.40, 01187 Dresden (Germany); Lin, Hong-Ji; Chen, Chien-Te [National Synchrotron Radiation Research Center, Hsin-Ann Road, 30076 Hsinchu, Taiwan (China)

    2013-07-01

    Europium monoxide is a ferromagnetic semiconductor with a Curie temperature T{sub C} of 69 K. Upon doping the material can show an increase of the Curie temperature, a metal-to-insulator transition and a high spin polarization of the charge carriers. Applying pressure can also enhance T{sub C}. Mostly other trivalent rare earth metals are used as dopant. Here we set out to explore the possibility of using transition metals as dopants. As a start we focus on the non magnetic Sc ions. We are able to achieve excellent crystalline growth of Sc-doped EuO thin films on YSZ (001) substrates using molecular beam epitaxy. We report our results on the crystal structure as characterized by RHEED and LEED, the electronic structure as determined by XPS and ARPES, and on the magnetic properties as measured by SQUID.

  9. Galvanomagnetic properties and electronic structure of iron-doped PbTe

    Energy Technology Data Exchange (ETDEWEB)

    Skipetrov, E. P., E-mail: skip@mig.phys.msu.ru [Faculty of Physics, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Faculty of Materials Science, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Kruleveckaya, O. V.; Skipetrova, L. A. [Faculty of Physics, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Knotko, A. V. [Faculty of Materials Science, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Faculty of Chemistry, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Slynko, E. I.; Slynko, V. E. [Institute of Materials Science Problems, National Academy of Sciences of Ukraine, Chernivtsy 58001 (Ukraine)

    2015-11-21

    We synthesize an iron-doped PbTe single-crystal ingot and investigate the phase composition and distribution of the iron impurity along the ingot as well as galvanomagnetic properties in weak magnetic fields (4.2 K ≤ T ≤ 300 K, B ≤ 0.07 T) of Pb{sub 1−y}Fe{sub y}Te alloys. We find microscopic inclusions enriched with iron and regions with a chemical composition close to FeTe in the heavily doped samples, while the iron impurity content in the main phase rises only slightly along the length of the ingot reaching the impurity solubility limit at approximately 0.6 mol. %. Samples from the initial and the middle parts of the ingot are characterized by p-type metal conductivity. An increase of the iron impurity content leads to a decrease in the free hole concentration and to a stabilization of galvanomagnetic parameters due to the pinning of the Fermi level by the iron resonant impurity level E{sub Fe} lying under the bottom of the valence band (E{sub v} − E{sub Fe} ≈ 16 meV). In the samples from the end of the ingot, a p-n inversion of the conductivity type and an increase of the free electron concentration along the ingot are revealed despite the impurity solubility limit being reached. The kinetics of changes of charge carrier concentration and of the Fermi energy along the ingot is analyzed in the framework of the six-band Dimmock dispersion relation. A model is proposed for the electronic structure rearrangement of Pb{sub 1−y}Fe{sub y}Te with doping, which may also be used for PbTe doped with other transition metals.

  10. Electric modulation of conduction in multiferroic Ca-doped BiFeO3 films

    Science.gov (United States)

    Yang, C.-H.; Seidel, J.; Kim, S. Y.; Rossen, P. B.; Yu, P.; Gajek, M.; Chu, Y. H.; Martin, L. W.; Holcomb, M. B.; He, Q.; Maksymovych, P.; Balke, N.; Kalinin, S. V.; Baddorf, A. P.; Basu, S. R.; Scullin, M. L.; Ramesh, R.

    2009-06-01

    Many interesting materials phenomena such as the emergence of high-Tc superconductivity in the cuprates and colossal magnetoresistance in the manganites arise out of a doping-driven competition between energetically similar ground states. Doped multiferroics present a tantalizing evolution of this generic concept of phase competition. Here, we present the observation of an electronic conductor-insulator transition by control of band-filling in the model antiferromagnetic ferroelectric BiFeO3 through Ca doping. Application of electric field enables us to control and manipulate this electronic transition to the extent that a p-n junction can be created, erased and inverted in this material. A `dome-like' feature in the doping dependence of the ferroelectric transition is observed around a Ca concentration of ~1/8, where a new pseudo-tetragonal phase appears and the electric modulation of conduction is optimized. Possible mechanisms for the observed effects are discussed on the basis of the interplay of ionic and electronic conduction. This observation opens the door to merging magnetoelectrics and magnetoelectronics at room temperature by combining electronic conduction with electric and magnetic degrees of freedom already present in the multiferroic BiFeO3.

  11. A tight binding model study of tunneling conductance spectra of spin and orbitally ordered CMR manganites

    Science.gov (United States)

    Panda, Saswati; Sahoo, D. D.; Rout, G. C.

    2018-04-01

    We report here a tight binding model for colossal magnetoresistive (CMR) manganites to study the pseudo gap (PG) behavior near Fermi level. In the Kubo-Ohata type DE model, we consider first and second nearest neighbor interactions for transverse spin fluctuations in core band and hopping integrals in conduction band, in the presence of static band Jahn-Teller distortion. The model Hamiltonian is solved using Zubarev's Green's function technique. The electron density of states (DOS) is found out from the Green's functions. We observe clear PG near Fermi level in the electron DOS.

  12. Evolution of magnetic and superconducting fluctuations with doping of high-Tc superconductors. An electronic Raman scattering study

    International Nuclear Information System (INIS)

    Blumberg, G.

    1998-01-01

    For YBa 2 Cu 3 O 6+δ and Bi 2 Sr 2 CaCu 2 O 3±δ superconductors, electronic Raman scattering from high- and low-energy excitations has been studied in relation to the hole doping level, temperature, and energy of the incident photons. For underdoped superconductors, it is concluded that short range antiferromagnetic (AF) correlations persist with hole doping and doped single holes are incoherent in the AF environment. Above the superconducting (SC) transition temperature T c the system exhibits a sharp Raman resonance of B 1g symmetry and about 75 meV energy and a pseudogap for electron-hole excitations below 75 meV, a manifestation of a partially coherent state forming from doped incoherent quasi-particles. The occupancy of the coherent state increases with cooling until phase ordering at T c produces a global SC state

  13. Mechanical properties and electronic structure of edge-doped graphene nanoribbons with F, O, and Cl atoms.

    Science.gov (United States)

    Piriz, Sebastián; Fernández-Werner, Luciana; Pardo, Helena; Jasen, Paula; Faccio, Ricardo; Mombrú, Álvaro W

    2017-08-16

    In this study, we present the structural, electronic, and mechanical properties of edge-doped zigzag graphene nanoribbons (ZGNRs) doped with fluorine, oxygen, and chlorine atoms. To the best of our knowledge, to date, no experimental results concerning the mechanical properties of graphene-derived nanoribbons have been reported in the literature. Simulations indicate that Cl- and F-doped ZGNRs present an equivalent 2-dimensional Young's modulus E 2D , which seems to be higher than those of graphene and H-doped ZGNRs. This is a consequence of the electronic structure of the system, particularly originating from strong interactions between the dopant atoms localized at the edges. The interaction between dopant atoms located at the edges is higher for Cl and lower for F and O atoms. This is the origin of the observed trend, in which E > E > E for all the analyzed ZGNRs.

  14. Implications of orbital hybridization on the electronic properties of doped quantum dots: the case of Cu:CdSe

    Energy Technology Data Exchange (ETDEWEB)

    Wright, Joshua T.; Forsythe, Kyle; Hutchins, Jamie; Meulenberg, Robert W.

    2016-04-13

    This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of these materials. This information provides insights into many of the physical properties of doped QDs, including the highly debated near-infrared photoluminescence in Cu doped CdSe QDs. We show that all our results point to a common theme of orbital hybridization in Cu doped CdSe QDs which leads to optically and electronically active states below the conduction band minimum. Our model is supported from current–voltage measurements of doped and undoped materials, which exhibit Schottky to Ohmic behavior with Cu doping, suggestive of a tuning of the lowest energy states near the Fermi level.

  15. Al-doped MgB{sub 2} materials studied using electron paramagnetic resonance and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bateni, Ali; Somer, Mehmet, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr [Department of Chemistry, Koç University, Rumelifeneri Yolu, Sariyer, Istanbul (Turkey); Erdem, Emre, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr; Repp, Sergej [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, Freiburg (Germany); Weber, Stefan [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, Freiburg (Germany); Freiburg Institute for Advanced Studies (FRIAS), Universität Freiburg, Albertstr. 19, Freiburg (Germany)

    2016-05-16

    Undoped and aluminum (Al) doped magnesium diboride (MgB{sub 2}) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB{sub 2} samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB{sub 2}. Above a certain level of Al doping, enhanced conductive properties of MgB{sub 2} disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

  16. Double pulse doped InGaAs/AlGaAs/GaAs pseudomorphic high-electron-mobility transistor heterostructures

    International Nuclear Information System (INIS)

    Egorov, A. Yu.; Gladyshev, A. G.; Nikitina, E. V.; Denisov, D. V.; Polyakov, N. K.; Pirogov, E. V.; Gorbazevich, A. A.

    2010-01-01

    Double pulse doped (δ-doped) InGaAs/AlGaAs/GaAs pseudomorphic high-electron-mobility transistor (HEMT) heterostructures were grown by molecular-beam epitaxy using a multiwafer technological system. The room-temperature electron mobility was determined by the Hall method as 6550 and 6000 cm 2 /(V s) at sheet electron densities of 3.00 x 10 12 and 3.36 x 10 12 cm -2 , respectively. HEMT heterostructures fabricated in a single process feature high uniformity of structural and electrical characteristics over the entire area of wafers 76.2 mm in diameter and high reproducibility of characteristics from process to process.

  17. Exciton-dopant and exciton-charge interactions in electronically doped OLEDs

    International Nuclear Information System (INIS)

    Williams, Christopher; Lee, Sergey; Ferraris, John; Zakhidov, A. Anvar

    2004-01-01

    The electronic dopants, like tetrafluorocyanoquinodimethane (F 4 -TCNQ) molecules, used for p-doping of hole transport layers in organic light-emitting diodes (OLEDs) are found to quench the electroluminescence (EL) if they diffuse into the emissive layer. We observed EL quenching in OLED with F 4 -TCNQ doped N,N'-diphenyl-N'N'-bis(1-naphthyl)-1,1'-biphenyl-4,4'-diamine hole transport layer at large dopant concentrations, >5%. To separate the effects of exciton-dopant quenching, from exciton-polaron quenching we have intentionally doped the emissive layer of (8-tris-hydroxyquinoline) with three acceptors (A) of different electron affinities: F 4 -TCNQ, TCNQ, and C 60 , and found that C 60 is the strongest EL-quencher, while F 4 -TCNQ is the weakest, contrary to intuitive expectations. The new effects of charge transfer and usually considered energy transfer from exciton to neutral (A) and charged acceptors (A - ) are compared as channels for non-radiative Ex-A decay. At high current loads the EL quenching is observed, which is due to decay of Ex on free charge carriers, hole polarons P + . We consider contributions to Ex-P + interaction by short-range charge transfer and describe the structure of microscopic charge transfer (CT)-processes responsible for it. The formation of metastable states of 'charged excitons' (predicted and studied by Agranovich et al. Chem. Phys. 272 (2001) 159) by electron transfer from a P to an Ex is pointed out, and ways to suppress non-radiative Ex-P decay are suggested

  18. Optical Analysis of Iron-Doped Lead Sulfide Thin Films for Opto-Electronic Applications

    Science.gov (United States)

    Chidambara Kumar, K. N.; Khadeer Pasha, S. K.; Deshmukh, Kalim; Chidambaram, K.; Shakil Muhammad, G.

    Iron-doped lead sulfide thin films were deposited on glass substrates using successive ionic layer adsorption and reaction method (SILAR) at room temperature. The X-ray diffraction pattern of the film shows a well formed crystalline thin film with face-centered cubic structure along the preferential orientation (1 1 1). The lattice constant is determined using Nelson Riley plots. Using X-ray broadening, the crystallite size is determined by Scherrer formula. Morphology of the thin film was studied using a scanning electron microscope. The optical properties of the film were investigated using a UV-vis spectrophotometer. We observed an increase in the optical band gap from 2.45 to 3.03eV after doping iron in the lead sulfide thin film. The cutoff wavelength lies in the visible region, and hence the grown thin films can be used for optoelectronic and sensor applications. The results from the photoluminescence study show the emission at 500-720nm. The vibrating sample magnetometer measurements confirmed that the lead sulfide thin film becomes weakly ferromagnetic material after doping with iron.

  19. Electron transfer at boron-doped diamond electrodes modified by graphitic micro-domains

    Energy Technology Data Exchange (ETDEWEB)

    Mahe, E.; Devilliers, D. [Pierre et Marie Curie Univ., Paris (France). Electrochemistry Lab.; Comninellis, C. [Lausanne Ecole Polytechnique, Lausanne (Switzerland). Groupe de Genie Electrochimique

    2006-07-01

    Boron-doped (BDD) electrodes have been used in electrolysis procedures for the last 10 years. The mechanical stability of the electrode, its large electrochemical window and its low capacitive current place this new electrode material as an alternative for replacing more costly or toxic materials such as mercury. However, the ferri/ferrocyanide system of boron-doped electrodes has shown contradictory results in the literature. This study proposed a cathodic pre-treatment which relied on the presence of residual graphitic domains formed during the preparation of the BDD film. An experiment was conducted in which the doping procedure was used to control the amount of graphitic phase on the electrode with highly oriented pyrolytic graphite (HOPG) grafted on the BDD surface. Surface characterization with Raman spectroscopy and Scanning Electron Microscopy (SEM) was then carried out using cyclic voltammetry and electrochemical impedance spectroscopy. The electroanalytical determination of the amount of graphitic micro-domains was described and a pulse procedure was proposed which obtained a reproducible surface state. 2 refs., 2 figs.

  20. Spin-dependent electronic transport properties of transition metal atoms doped α-armchair graphyne nanoribbons

    Science.gov (United States)

    Fotoohi, Somayeh; Haji-Nasiri, Saeed

    2018-04-01

    Spin-dependent electronic transport properties of single 3d transition metal (TM) atoms doped α-armchair graphyne nanoribbons (α-AGyNR) are investigated by non-equilibrium Green's function (NEGF) method combined with density functional theory (DFT). It is found that all of the impurity atoms considered in this study (Fe, Co, Ni) prefer to occupy the sp-hybridized C atom site in α-AGyNR, and the obtained structures remain planar. The results show that highly localized impurity states are appeared around the Fermi level which correspond to the 3d orbitals of TM atoms, as can be derived from the projected density of states (PDOS). Moreover, Fe, Co, and Ni doped α-AGyNRs exhibit magnetic properties due to the strong spin splitting property of the energy levels. Also for each case, the calculated current-voltage characteristic per super-cell shows that the spin degeneracy in the system is obviously broken and the current becomes strongly spin dependent. Furthermore, a high spin-filtering effect around 90% is found under the certain bias voltages in Ni doped α-AGyNR. Additionally, the structure with Ni impurity reveals transfer characteristic that is suitable for designing a spin current switch. Our findings provide a high possibility to design the next generation spin nanodevices with novel functionalities.

  1. Observation of an electron band above the Fermi level in FeTe0.55Se0.45 from in-situ surface doping

    International Nuclear Information System (INIS)

    Zhang, P.; Ma, J.; Qian, T.; Richard, P.; Ding, H.; Xu, N.; Xu, Y.-M.; Fedorov, A. V.; Denlinger, J. D.; Gu, G. D.

    2014-01-01

    We used in-situ potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe 0.55 Se 0.45 . The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily electron-doped KFe 2−x Se 2 compound.

  2. Effect of Sr-doping of LaMnO3 spacer on modulation-doped two-dimensional electron gases at oxide interfaces

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Gan, Yulin; Christensen, Dennis Valbjørn

    2017-01-01

    Modulation-doped oxide two-dimensional electron gas formed at the LaMnO3 (LMO) buffered disorderd-LaAlO3/SrTiO3 (d-LAO/LMO/STO) heterointerface provides new opportunities for electronics as well as quantum physics. Herein, we studied the dependence of Sr-doping of La1-xSrxMnO3 (LSMO, x = 0, 1/8, ...... of LSMO during the deposition of disordered LAO or that the energy levels of Mn 3d electrons at the interface of LSMO/STO are hardly varied even when changing the LSMO composition from LMO to SrMnO3....

  3. Spin-polarized electron tunneling across a Si delta-doped GaMnAs/n-GaAs interface

    DEFF Research Database (Denmark)

    Andresen, S.E.; Sørensen, B.S.; Lindelof, P.E.

    2003-01-01

    Spin-polarized electron coupling across a Si delta-doped GaMnAs/n-GaAs interface was investigated. The injection of spin-polarized electrons was detected as circular polarized emission from a GaInAs/GaAs quantum well light emitting diode. The angular momentum selection rules were simplified...

  4. Direct Detection and Imaging of Low-Energy Electrons with Delta-Doped Charge-Coupled Devices

    Science.gov (United States)

    Nikzad, S.; Yu, Q.; Smith, A. L.; Jones, T. J.; Tombrello, T. A.; Elliott, S. T.

    1998-01-01

    We report the use fo delta-doped charge-coupled devices (CCDs) for direct detection of electrons in the 50-1500 eV energy range. These are the first measurements with a solid state device to detect electrons in this energy range.

  5. Negligible Electronic Interaction between Photoexcited Electron-Hole Pairs and Free Electrons in Phosphorus-Boron Co-Doped Silicon Nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Limpens, Rens [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Neale, Nathan R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Fujii, Minoru [Kobe University; Gregorkiewicz, Tom [University of Amsterdam

    2018-03-05

    Phosphorus (P) and boron (B) co-doped Si nanocrystals (NCs) have raised interest in the optoelectronic industry due to their electronic tunability, optimal carrier multiplication properties, and straightforward dispersibility in polar solvents. Yet a basic understanding of the interaction of photoexcited electron-hole (e-h) pairs with new physical features that are introduced by the co-doping process (free carriers, defect states, and surface chemistry) is missing. Here, we present the first study of the ultrafast carrier dynamics in SiO2-embedded P-B co-doped Si NC ensembles using induced absorption spectroscopy through a two-step approach. First, the induced absorption data show that the large fraction of the dopants residing on the NC surface slows down carrier relaxation dynamics within the first 20 ps relative to intrinsic (undoped) Si NCs, which we interpret as enhanced surface passivation. On longer time-scales (picosecond to nanosecond regime), we observe a speeding up of the carrier relaxation dynamics and ascribe it to doping-induced trap states. This argument is deduced from the second part of the study, where we investigate multiexciton interactions. From a stochastic modeling approach we show that localized carriers, which are introduced by the P or B dopants, have minor electronic interactions with the photoexcited e-h pairs. This is understood in light of the strong localization of the introduced carriers on their original P- or B-dopant atoms, due to the strong quantum confinement regime in these relatively small NCs (<6 nm).

  6. Evaluating of electronic structure of Lanthanum chromite under doping of divalent ion using density functional theory

    International Nuclear Information System (INIS)

    Saievar, E.; Gharleghi, A.

    2006-01-01

    Doping Calcium in Lanthanum site of LaCrO 3 compound increasing the density of states in valance band and decreasing the band gap width because of increases of S electrons in valance band and variety of interaction energies from Cr +3 -Cr +4 couple in valance band. We have used Wien2k software for evaluating this mechanisms. Using of 0.25 percent of dopant and a kind of the space group of cell, let us to use one cell in calculations. We have used GGA approximation in this calculations.

  7. Electronic and magnetic properties of TiO2 (co)-doped with (V, Mn)

    Science.gov (United States)

    Rami, R.; Rkhioui, N.; Ahl Laamara, R.; Drissi, L. B.

    2017-12-01

    The effect of dopage and co-dopage with vanadium and manganese on the structural, the electronic and the magnetic properties of TiO2 is studied using ab initio calculations. The calculations are based on the Korringa-Kohn-Rostoker method combined with the coherent potential approach, employing the local density approximation (LDA). The density of states are plotted in the energy diagram for different concentrations of dopants. The magnetic moments and half-metallic character of the doped compounds are investigated and the mechanism of exchange interaction is determined. In addition, the Curie temperature is given for different concentrations.

  8. Doping of Ga in antiferromagnetic semiconductor α-Cr2O3 and its effects on magnetic and electronic properties

    Science.gov (United States)

    Bhowmik, R. N.; Venkata Siva, K.; Ranganathan, R.; Mazumdar, Chandan

    2017-06-01

    The samples of Ga-doped Cr2O3 have been prepared using chemical co-precipitation route. X-ray diffraction pattern and Raman spectra have indicated rhombohedral crystal structure with space group R 3 bar C. Magnetic measurements indicated diluted antiferromagnetic (AFM) spin order in Ga-doped α-Cr2O3 and ferrimagnetic ordering of spins at about 50-60 K is confirmed from the analysis of the temperature dependence of dc magnetization and ac susceptibility data. Apart from magnetic dilution effect, the samples have shown superparamagnetic behavior below 50 K due to frustrated surface spins of the nano-sized grains. The samples have shown non-linear electronic properties. The current-voltage (I-V) characteristics of the Ga-doped α-Cr2O3 samples are remarkably different from α-Cr2O3 sample. The bi-stable electronic states and negative differential resistance are some of the unique non-linear electronic properties that the I-V curves of Ga-doped samples have exhibited. Optical study revealed three electronic transitions in the samples associated with band gap energy at about 2.67-2.81 eV, 1.91-2.11 eV, 1.28-1.35 eV, respectively. The results indicated multi-level electronic structure in Ga-doped α-Cr2O3 system.

  9. Magnetic and electron spin resonance studies of W doped CoFe2O4 polycrystalline materials

    Science.gov (United States)

    Singamaneni, S. R.; Martinez, L. M.; Swadipta, R.; Ramana, C. V.

    2018-05-01

    We report the magnetic and electron spin resonance (ESR) properties of W doped CoFe2O4 polycrystalline materials, prepared by standard solid-state reaction method. W was doped (0-15%) in CFO lattice on Fe site. Isothermal magnetization measurements reveal that the coercive field (Hc) (1300-2200 Oe) and saturation magnetization MS (35-82 emu/g) vary strongly as a function of W doping at all the temperatures (4-300 K) measured. We believe that a strong decrease in magnetic anisotropy in CFO after doping with W could cause a decrease in Hc. Up on doping CFO with W in place of Fe, the process transforms part of Fe3+ into Fe2+ due to the creation of more oxygen vacancies. This hinders the super-exchange interaction between Fe3+ and Fe2+, which causes a decrease in MS. Zero-field cooled (ZFC) and field cooled (FC, 1000 Oe) magnetization responses measured at 4 K on 1% W doped CFO show no indication of exchange bias, inferring that there are no other microscopic secondary magnetic phases (no segregation). This observation is corroborated by ESR (9.398 GHz) measurements collected as a function of temperature (10-150 K) and W doping (0-15%). We find that ESR spectra did not change after doping with W above 0.5%. However, ESR spectra collected from 0.5% W doped CFO sample showed a strong temperature dependence. We observed several ESR signals from 0.5% W doped CFO sample that could be due to phase separation.

  10. Theoretical perspective on the electronic, magnetic and optical properties of Zn-doped monolayer SnS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Lili; Zhou, Wei; Liu, Yanyu; Yu, Dandan [Department of Applied Physics, Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparing Technology, Faculty of Science, Tianjin University, Tianjin 300072 (China); Liang, Yinghua [College of Chemical Engineering, North China University of Science and Technology, Tangshan 063009 (China); Wu, Ping, E-mail: pingwu@tju.edu.cn [Department of Applied Physics, Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparing Technology, Faculty of Science, Tianjin University, Tianjin 300072 (China)

    2016-12-15

    Highlights: • The Zn doping in monolayer SnS{sub 2} is energetically favored under S-rich condition. • The room temperature ferromagnetism can be realized in Zn-doped monolayer SnS{sub 2}. • The Zn doping enhances the effective utilization in the near-infrared light region. • The Zn doping could lead to the red shift of absorption edge in monolayer SnS{sub 2}. • The Zn-doped monolayer SnS{sub 2} is active for both the oxygen and hydrogen evolution. - Abstract: The electronic, magnetic and optical properties of Zn-doped monolayer SnS{sub 2} have been theoretically investigated with the density functional theory. Numerical results reveal that monolayer SnS{sub 2} can be easily synthesized by cleaving its bulk crystal. Besides, the Zn doping in monolayer SnS{sub 2} is energetically favored under the S-rich with respect to the Sn-rich condition. The doped system exhibits the magnetic ground states due to the formation of defect states above the Fermi level, which are introduced by the hybridization between S-3p states and a small amount of Sn-4d states. The room temperature ferromagnetism can also be realized in Zn-doped monolayer SnS{sub 2}. The injection of Zn can enhance the absorption efficiency of solar spectrum, especially in the near-infrared light region. Moreover, the Zn doping can enhance the photocatalytic activity for both the oxygen and hydrogen evolution reactions in the monolayer SnS{sub 2}.

  11. Magnetic and electron spin resonance studies of W doped CoFe2O4 polycrystalline materials

    Directory of Open Access Journals (Sweden)

    S. R. Singamaneni

    2018-05-01

    Full Text Available We report the magnetic and electron spin resonance (ESR properties of W doped CoFe2O4 polycrystalline materials, prepared by standard solid-state reaction method. W was doped (0-15% in CFO lattice on Fe site. Isothermal magnetization measurements reveal that the coercive field (Hc (1300-2200 Oe and saturation magnetization MS (35-82 emu/g vary strongly as a function of W doping at all the temperatures (4-300 K measured. We believe that a strong decrease in magnetic anisotropy in CFO after doping with W could cause a decrease in Hc. Up on doping CFO with W in place of Fe, the process transforms part of Fe3+ into Fe2+ due to the creation of more oxygen vacancies. This hinders the super-exchange interaction between Fe3+ and Fe2+, which causes a decrease in MS. Zero-field cooled (ZFC and field cooled (FC, 1000 Oe magnetization responses measured at 4 K on 1% W doped CFO show no indication of exchange bias, inferring that there are no other microscopic secondary magnetic phases (no segregation. This observation is corroborated by ESR (9.398 GHz measurements collected as a function of temperature (10-150 K and W doping (0-15%. We find that ESR spectra did not change after doping with W above 0.5%. However, ESR spectra collected from 0.5% W doped CFO sample showed a strong temperature dependence. We observed several ESR signals from 0.5% W doped CFO sample that could be due to phase separation.

  12. Transmission electron microscopy of carbon-coated and iron-doped titania nanoparticles

    KAUST Repository

    Anjum, Dalaver H.

    2016-08-02

    We present a study on the properties of iron (Fe)-doped and carbon (C)-coated titania (TiO2) nanoparticles (NPs) which has been compiled by using x-ray diffraction (XRD), transmission electron microscopy (TEM), and x-ray photoelectron spectroscopy (XPS). These TiO2 NPs were prepared by using the flame synthesis method. This method allows the simultaneous C coating and Fe doping of TiO2 NPs. XRD investigations revealed that the phase of the prepared NPs was anatase TiO2. Conventional TEM analysis showed that the average size of the TiO2 NPs was about 65 nm and that the NPs were uniformly coated with the element C. Furthermore, from the x-ray energy dispersive spectrometry analysis, it was found that about 8 at.% Fe was present in the synthesized samples. High-resolution TEM (HRTEM) revealed the graphitized carbon structure of the layer surrounding the prepared TiO2 NPs. HRTEM analysis further revealed that the NPs possessed the crystalline structure of anatase titania. Energy-filtered TEM (EFTEM) analysis showed the C coating and Fe doping of the NPs. The ratio of L3 and L2 peaks for the Ti-L23 and Fe-L23 edges present in the core loss electron energy loss spectroscopy (EELS) revealed a +4 oxidation state for the Ti and a +3 oxidation state for the Fe. These EELS results were further confirmed with XPS analysis. The electronic properties of the samples were investigated by applying Kramers-Kronig analysis to the low-loss EELS spectra acquired from the prepared NPs. The presented results showed that the band gap energy of the TiO2 NPs decreased from an original value of 3.2 eV to about 2.2 eV, which is quite close to the ideal band gap energy of 1.65 eV for photocatalysis semiconductors. The observed decrease in band gap energy of the TiO2 NPs was attributed to the presence of Fe atoms at the lattice sites of the anatase TiO2 lattice. In short, C-coated and Fe-doped TiO2 NPs were synthesized with a rather cost-effective and comparatively easily scalable method. The

  13. Characterization of electronic charged states of P-doped Si quantum dots using AFM/Kelvin probe

    International Nuclear Information System (INIS)

    Makihara, Katsunori; Xu, Jun; Ikeda, Mitsuhisa; Murakami, Hideki; Higashi, Seiichiro; Miyazaki, Seiichi

    2006-01-01

    Phosphorous doping to Si quantum dots was performed by a pulse injection of 1% PH 3 diluted with He during the dot formation on thermally grown SiO 2 from thermal decomposition of pure SiH 4 , and electron charging to and discharging from P-doped Si dots were studied to characterize their electronic charged states using a Kelvin probe technique in atomic force microscopy (AFM). The potential change corresponding to the extraction of one electron from each of the P-doped Si dots was observed after applying a tip bias as low as + 0.2 V while for undoped Si dots, with almost the same size as P-doped Si dots, almost the same amount of the potential change was detectable only when the tip bias was increased to ∼ 1 V. It is likely that, for P-doped Si dots, the electron extraction from the conduction band occurs and results in a positively charged state with ionized P donor

  14. Electronic structure of chromium-doped lead telluride-based diluted magnetic semiconductors

    International Nuclear Information System (INIS)

    Skipetrov, E.P.; Pichugin, N.A.; Slyn'ko, E.I.; Slyn'ko, V.E.

    2011-01-01

    The crystal structure, composition, galvanomagnetic and oscillatory properties of the Pb 1-x-y Sn x Cr y Te (x = 0, 0.05-0.30, y ≤ 0.01) alloys have been investigated with varying matrix composition and chromium impurity concentration. It is shown that the chromium impurity atoms dissolve in the crystal lattice at least up to 1 mol.%. The following increase of the chromium concentration leads to the appearance of microscopic regions enriched with chromium and inclusions of Cr-Te compounds. A decrease of the hole concentration, a p-n-conversion of the conductivity type and a pinning of the Fermi level by the chromium resonant level are observed with increasing chromium content. Initial rates of changes in the free carrier concentration on doping are determined. The dependences of electron concentration and Fermi level on tin content are calculated by the two-band Kane dispersion relation. A diagram of electronic structure rearrangement for the chromium-doped alloys with varying the matrix composition is proposed.

  15. CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

    Directory of Open Access Journals (Sweden)

    G. R. Berdiyorov

    2016-12-01

    Full Text Available Decoration of graphene with metals and metal-oxides is known to be one of the effective methods to enhance gas sensing and catalytic properties of graphene. We use density functional theory in combination with the nonequilibrium Green’s function formalism to study the conductance response of Fe-doped graphene nanoribbons to CO2 gas adsorption. A single Fe atom is either adsorbed on graphene’s surface (aFe-graphene or it substitutes the carbon atom (sFe-graphene. Metal atom doping reduces the electronic transmission of pristine graphene due to the localization of electronic states near the impurities. The reduction in the transmission is more pronounced in the case of aFe-graphene. In addition, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. Pristine graphene is also found to be less sensitive to the molecular adsorption. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing graphene-based solid-state gas sensors.

  16. Magnetic after-effect in manganite films

    International Nuclear Information System (INIS)

    Sirena, M.; Steren, L.B.; Guimpel, J.

    2001-01-01

    The time dependence of the magnetic and transport properties on La 0.6 Sr 0.4 MnO 3 films and bulk samples has been studied through magnetization and resistivity measurements. A magnetic after-effect has been observed in all samples. At low temperatures, the low-field magnetization, can be described by the function M(t)=M c +M d exp(-t/τ)+S(H,T)ln(t). The resistivity increases logarithmically in the same temperature range, indicating the evolution of the sample to a more disordered state. Above a characteristic temperature, this behaviour is reversed and an increase of the magnetization with time is observed. The relaxation parameters depend on the bulk or films character of the samples. In the latter case, a dependence on the film thickness was found. A direct correlation between the time dependence of the resistivity and magnetization curves in manganite compounds was found

  17. Electronic and optical properties of antiferromagnetic iron doped NiO - A first principles study

    Science.gov (United States)

    Petersen, John E.; Twagirayezu, Fidele; Scolfaro, Luisa M.; Borges, Pablo D.; Geerts, Wilhelmus J.

    2017-05-01

    Antiferromagnetic NiO is a candidate for next generation high-speed and scaled RRAM devices. Here, electronic and optical properties of antiferromagnetic NiO: Fe 25% in the rock salt structure are studied and compared to intrinsic NiO. From density of states and complex dielectric function analysis, the first optical transition is found to be at lower frequency than intrinsic NiO due to an Fe impurity level being the valence band maximum. The resulting effects on refractive index, reflectivity, absorption, optical conductivity and loss function for Fe-doped NiO are compared to those of intrinsic NiO, and notable differences are analyzed. The electronic component of the static dielectric constant of NiO: Fe 25% is calculated to be about 2% less than that of intrinsic NiO.

  18. Thermally stimulated luminescence and electron paramagnetic resonance studies on uranium doped calcium phosphate

    CERN Document Server

    Natarajan, V; Veeraraghavan, R; Sastry, M D

    2003-01-01

    Thermally stimulated luminescence (TSL) and electron paramagnetic resonance (EPR) studies on uranium doped calcium phosphate yielded mechanistic information on the observed glow peaks at 365, 410 and 450 K. TSL spectral studies of the glow peaks showed that UO sub 2 sup 2 sup + acts as the luminescent center. Electron paramagnetic resonance studies on gamma-irradiated samples revealed that the predominant radiation induced centers are H sup 0 , PO sub 4 sup 2 sup - , PO sub 3 sup 2 sup - and O sup - ion. Studies on the temperature dependence studies of the EPR spectra of samples annealed to different temperatures indicate the role of H sup 0 and PO sub 4 sup 2 sup - ions in the main glow peak at 410 K.

  19. Topologically non-trivial electronic and magnetic states in doped copper Kagome lattices

    Science.gov (United States)

    Guterding, Daniel; Jeschke, Harald O.; Valenti, Roser

    We present a theoretical investigation of doped copper kagome materials based on natural minerals Herbertsmithite [ZnCu3(OH)6Cl2] and Barlowite[Cu4(OH)6FBr]. Using ab-initio density functional theory calculations we estimate the stability of the hypothetical compounds against structural distortions and analyze their electronic and magnetic properties. We find that materials based on Herbertsmithite present an ideal playground for investigating the interplay of non-trivial band-topology and strong electronic correlation effects. In particular, we propose candidates for the Quantum Spin Hall effect at filling 4/3 and the Quantum Anomalous Hall effect at filling 2/3. For the Barlowite system we point out a route to realize a Quantum Spin Liquid. This work was supported by Deutsche Forschungsgemeinschaft under Grant No. SFB/TR 49 and the National Science Foundation under Grant No. PHY11-25915.

  20. Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

    International Nuclear Information System (INIS)

    Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

    2010-01-01

    Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

  1. Structure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT method

    International Nuclear Information System (INIS)

    Maldonado, Frank; Rivera, Richard; Stashans, Arvids

    2012-01-01

    Using first-principles density functional theory calculations within the generalised gradient approximation (GGA) as well as GGA+U method we study Ca-doped α-Cr 2 O 3 crystal. Structural, electronic and magnetic properties due to the singular impurity incorporation have been investigated and discussed in detail. Atomic shifts as well as computed Bader charges on atoms imply the importance of ionic nature in the atomic interactions in chromium oxide. The study improves our knowledge on how the crystalline lattice reacts on the presence of a Ca dopant. According to our research it is found that Ca impurity incorporation produces some local changes upon the electronic band structure of the material without occurrence of local states within the band-gap. It is found that Ca incorporation produces change in magnetic behaviour of the crystal: it becomes ferromagnetic.

  2. Structure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT method

    Energy Technology Data Exchange (ETDEWEB)

    Maldonado, Frank; Rivera, Richard [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Stashans, Arvids, E-mail: arvids@utpl.edu.ec [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

    2012-04-15

    Using first-principles density functional theory calculations within the generalised gradient approximation (GGA) as well as GGA+U method we study Ca-doped {alpha}-Cr{sub 2}O{sub 3} crystal. Structural, electronic and magnetic properties due to the singular impurity incorporation have been investigated and discussed in detail. Atomic shifts as well as computed Bader charges on atoms imply the importance of ionic nature in the atomic interactions in chromium oxide. The study improves our knowledge on how the crystalline lattice reacts on the presence of a Ca dopant. According to our research it is found that Ca impurity incorporation produces some local changes upon the electronic band structure of the material without occurrence of local states within the band-gap. It is found that Ca incorporation produces change in magnetic behaviour of the crystal: it becomes ferromagnetic.

  3. Electronic structure and magnetic properties of Ni-doped SnO2 thin films

    Science.gov (United States)

    Sharma, Mayuri; Kumar, Shalendra; Alvi, P. A.

    2018-05-01

    This paper reports the electronic structure and magnetic properties of Ni-doped SnO2 thin film which were grown on Si (100) substrate by PLD (pulse laser deposition) technique under oxygen partial pressure (PO2). For getting electronic structure and magnetic behavior, the films were characterized using near edge X-ray absorption fine structure spectroscopy (NEXAFS) and DC magnetization measurements. The NEXAFS study at Ni L3,2 edge has been done to understand the local environment of Ni and Sn ions within SnO2 lattice. DC magnetization measurement shows that the saturation magnetization increases with the increase in substitution of Ni2+ ions in the system.

  4. Positron-electron autocorrelation function study of E-center in phosphorus-doped silicon

    International Nuclear Information System (INIS)

    Ho, K.F.; Beling, C.D.; Fung, S.; Biasini, M.; Ferro, G.; Gong, M.

    2004-01-01

    Two dimensional fourier transformed angular correlation of annihilation radiation (2D-FT-ACAR) spectra have been taken for 10 19 cm -3 phosphorus-doped Si in the as grown state and after being subjected to 1.8 MeV e - fluences of 2 x 10 18 cm -2 . In the spectra of the irradiated samples, the zero-crossing points are observed to displace outwards from the bravais lattice positions. It is suggested that this results from positrons annihilating with electrons in localized orbitals at the defect site. An attempt is made to extract just the component of the defect's positron-electron autocorrelation function that relates to the localized defect orbitals. It is argued that such an extracted real-space function may provide a suitable means for obtaining a mapping of localized defect orbitals. (orig.)

  5. Design of transparent conductors and periodic two-dimensional electron gases without doping

    Science.gov (United States)

    Zhang, Xiuwen; Zhang, Lijun; Zunger, Alex; Perkins, John; Materials by Design Team; John D. Perkins Collaboration

    The functionality of transparency plus conductivity plays an important role in renewable energy and information technologies, including applications such as solar cells, touch-screen sensors, and flat panel display. However, materials with such seemingly contraindicated properties are difficult to come by. The traditional strategy for designing bulk transparent conductors (TCs) starts from a wide-gap insulator and finds ways to make it conductive by extensive doping. We propose a different strategy for TC design--starting with a metallic conductor and designing transparency by control of intrinsic interband transitions and intraband plasmonic frequency. We identified specific design principles for prototypical intrinsic TC classes and searched computationally for materials that satisfy them. The electron gases in the 3D intrinsic TCs demonstrate intriguing properties, such as periodic 2D electron gas regions with very high carrier density. We will discuss a more extended search of these functionalities, in parallel with stability and growability calculations

  6. X-ray absorption study of the electronic structure of Mn-doped amorphous Si

    Energy Technology Data Exchange (ETDEWEB)

    Arenholz, Elke; Zeng, Li; Huegel, A.; Helgren, E.; Hellman, F.; Piamonteze, C.; Arenholz, E.

    2008-03-08

    The electronic structure of Mn in amorphous Si (a-Mn{sub x}Si{sub 1?x}) is studied by X-ray absorption spectroscopy at the Mn L{sub 3,2} edges for x = 0.005-0.18. Except the x = 0.005 sample, which shows a slight signature of Mn{sup 2+} atomic multiplets associated with a local Mn moment, all samples have broad and featureless L{sub 3,2} absorption peaks, corresponding to an itinerant state for all 3d electrons. The broad X-ray absorption spectra exclude the possibility of a localized 3d moment and explain the unexpectedly quenched Mn moment in this magnetically-doped amorphous semiconductor. Such a fully delocalized d state of Mn dopant in Si has not been previously suggested.

  7. Structural domain walls in polar hexagonal manganites

    Science.gov (United States)

    Kumagai, Yu

    2014-03-01

    The domain structure in the multiferroic hexagonal manganites is currently intensely investigated, motivated by the observation of intriguing sixfold topological defects at their meeting points [Choi, T. et al,. Nature Mater. 9, 253 (2010).] and nanoscale electrical conductivity at the domain walls [Wu, W. et al., Phys. Rev. Lett. 108, 077203 (2012).; Meier, D. et al., Nature Mater. 11, 284 (2012).], as well as reports of coupling between ferroelectricity, magnetism and structural antiphase domains [Geng, Y. et al., Nano Lett. 12, 6055 (2012).]. The detailed structure of the domain walls, as well as the origin of such couplings, however, was previously not fully understood. In the present study, we have used first-principles density functional theory to calculate the structure and properties of the low-energy structural domain walls in the hexagonal manganites [Kumagai, Y. and Spaldin, N. A., Nature Commun. 4, 1540 (2013).]. We find that the lowest energy domain walls are atomically sharp, with {210}orientation, explaining the orientation of recently observed stripe domains and suggesting their topological protection [Chae, S. C. et al., Phys. Rev. Lett. 108, 167603 (2012).]. We also explain why ferroelectric domain walls are always simultaneously antiphase walls, propose a mechanism for ferroelectric switching through domain-wall motion, and suggest an atomistic structure for the cores of the sixfold topological defects. This work was supported by ETH Zurich, the European Research Council FP7 Advanced Grants program me (grant number 291151), the JSPS Postdoctoral Fellowships for Research Abroad, and the MEXT Elements Strategy Initiative to Form Core Research Center TIES.

  8. Multilayered phosphorescent polymer light-emitting diodes using a solution-processed n-doped electron transport layer

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yuehua; Zhang, Mengke [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Zhang, Xinwen, E-mail: iamxwzhang@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Lei, Zhenfeng; Zhang, Xiaolin; Hao, Lin; Fan, Quli [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Lai, Wenyong, E-mail: iamwylai@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Huang, Wei [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Key Laboratory of Flexible Electronics & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing 211816 (China)

    2017-06-15

    Efficient multilayered green phosphorescent polymer light-emitting devices (PhPLEDs) were successfully fabricated using a solution-processed n-doped small molecular electron transporting layer (ETL) composed of 1,3,5-tris(N-phenyl-benzimidazol-2-yl)-benzene (TPBi) and CsF. We found that the electroluminescence properties of the devices with n-doped ETLs are significantly improved. The maximum luminance efficiency of the device with 7.5 wt% CsF doped TPBi ETL reached 26.9 cd/A, which is 1.5 times as large as that of the undoped device. The impedance spectra of the devices and electron transport properties of the CsF doped ETLs demonstrate that doping dramatically decreases the impedance and enhances the electrical conductivity. Similarly, enhanced performance of PhPLED is also observed by use of CsF-doped 4,7-diphenyl-1,10 -phenanthroline (BPhen) ETL. These results demonstrate that CsF can be used as an effective n-dopant in solution-processed devices.

  9. Multilayered phosphorescent polymer light-emitting diodes using a solution-processed n-doped electron transport layer

    International Nuclear Information System (INIS)

    Chen, Yuehua; Zhang, Mengke; Zhang, Xinwen; Lei, Zhenfeng; Zhang, Xiaolin; Hao, Lin; Fan, Quli; Lai, Wenyong; Huang, Wei

    2017-01-01

    Efficient multilayered green phosphorescent polymer light-emitting devices (PhPLEDs) were successfully fabricated using a solution-processed n-doped small molecular electron transporting layer (ETL) composed of 1,3,5-tris(N-phenyl-benzimidazol-2-yl)-benzene (TPBi) and CsF. We found that the electroluminescence properties of the devices with n-doped ETLs are significantly improved. The maximum luminance efficiency of the device with 7.5 wt% CsF doped TPBi ETL reached 26.9 cd/A, which is 1.5 times as large as that of the undoped device. The impedance spectra of the devices and electron transport properties of the CsF doped ETLs demonstrate that doping dramatically decreases the impedance and enhances the electrical conductivity. Similarly, enhanced performance of PhPLED is also observed by use of CsF-doped 4,7-diphenyl-1,10 -phenanthroline (BPhen) ETL. These results demonstrate that CsF can be used as an effective n-dopant in solution-processed devices.

  10. Enhanced carrier collection efficiency and reduced quantum state absorption by electron doping in self-assembled quantum dot solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tian, E-mail: tianlee@umd.edu, E-mail: dage@ece.umd.edu; Dagenais, Mario, E-mail: tianlee@umd.edu, E-mail: dage@ece.umd.edu [Department of Electrical Engineering, University of Maryland, College Park, Maryland 20742 (United States); Lu, Haofeng; Fu, Lan; Tan, Hark Hoe; Jagadish, Chennupati [Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra ACT 0200 (Australia)

    2015-02-02

    Reduced quantum dot (QD) absorption due to state filling effects and enhanced electron transport in doped QDs are demonstrated to play a key role in solar energy conversion. Reduced QD state absorption with increased n-doping is observed in the self-assembled In{sub 0.5}Ga{sub 0.5}As/GaAs QDs from high resolution below-bandgap external quantum efficiency (EQE) measurement, which is a direct consequence of the Pauli exclusion principle. We also show that besides partial filling of the quantum states, electron-doping produces negatively charged QDs that exert a repulsive Coulomb force on the mobile electrons, thus altering the electron trajectory and reducing the probability of electron capture, leading to an improved collection efficiency of photo-generated carriers, as indicated by an absolute above-bandgap EQE measurement. The resulting redistribution of the mobile electron in the planar direction is further validated by the observed photoluminescence intensity dependence on doping.

  11. Operation voltage behavior of organic light emitting diodes with polymeric buffer layers doped by weak electron acceptor

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Hyeon Soo; Cho, Sang Hee [Department of Information Display and Advanced Display Research Center, Kyung Hee University, Seoul 130-701 (Korea, Republic of); Seo, Jaewon; Park, Yongsup [Department of Physics, Kyung Hee University, Seoul 130-701 (Korea, Republic of); Suh, Min Chul, E-mail: mcsuh@khu.ac.kr [Department of Information Display and Advanced Display Research Center, Kyung Hee University, Seoul 130-701 (Korea, Republic of)

    2013-11-01

    We present polymeric buffer materials based on poly[2,7-(9,9-dioctyl-fluorene)-co-(1,4-phenylene -((4-sec-butylphenyl)imino)-1,4-phenylene)] (TFB) for highly efficient solution processed organic light emitting diodes (OLEDs). Doped TFB with 9,10-dicyanoanthracene, a weak electron acceptor results in significant improvement of current flow and driving voltage. Maximum current- and power-efficiency value of 12.6 cd/A and 18.1 lm/W are demonstrated from phosphorescent red OLEDs with this doped polymeric anode buffer system. - Highlights: • Polymeric buffer materials for organic light emitting diodes (OLEDs). • Method to control hole conductivity of polymeric buffer layer in OLED device. • Enhanced current density of buffer layers upon 9,10-dicyanoanthracene (DCA) doping. • Comparison of OLED devices having polymeric buffer layer with or without DCA. • Effect on operating voltage by doping DCA in the buffer layer.

  12. Role of anion doping on electronic structure and magnetism of GdN by first principles calculations

    KAUST Repository

    Zhang, Xuejing; Mi, Wenbo; Guo, Zaibing; Cheng, Yingchun; Chen, Guifeng; Bai, Haili

    2014-01-01

    We have investigated the electronic structure and magnetism of anion doped GdN1-yXy (X = B, C, O, F, P, S and As) systems by first-principles calculations based on density functional theory. GdN 1-yXy systems doped by O, C, F, P, and S atoms are more stable than those doped by B and As atoms because of relatively high binding energies. The anion doping and the N defect states modify the density of states at the Fermi level, resulting in a decrease in spin polarization and a slight increase in the magnetic moment at the Gd and N sites. © 2014 The Royal Society of Chemistry.

  13. Characterization of some electronic spectral parameters for doped Nd (III) ion in saturated aqueous solution of some pharmaceutical compounds

    International Nuclear Information System (INIS)

    Naulakha, Neelam; Soni, K.P.; Bhati, P.R.

    2000-01-01

    The stereo-environment of doped Nd(III) ion in various saturated solutions of some medicinal compounds has been studied for various electronic spectral parameters. The various electronic parameters, viz., Slater Condon (F k ), Lande (ζ 4f ) intensity of hypersensitive band ( 4 G 5/2 ), bonding parameter (b 1/2 ), Judd-Ofelt parameter (Tλ) and Racah parameter (E k ) for Nd(III) ion doped in saturated solution of diphenylhydramine, tripelennamine, chlorophenaramine, promethazine, terfinadine, naproxen, fenoprofen, flurbiprofen, oxaprozine, ketoprofen and ibuprofen have been studied. (author)

  14. Doping dependence and anisotropy of minority electron mobility in molecular beam epitaxy-grown p type GaInP

    Energy Technology Data Exchange (ETDEWEB)

    Haegel, N. M.; Christian, T.; Norman, A. G.; Mascarenhas, A. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Scandrett, C. [Naval Postgraduate School, Monterey, California 93943 (United States); Misra, Pranob; Liu, Ting; Sukiasyan, Arsen; Pickett, Evan; Yuen, Homan [Solar Junction, Inc., San Jose, California 95131 (United States)

    2014-11-17

    Direct imaging of minority electron transport via the spatially resolved recombination luminescence signature has been used to determine carrier diffusion lengths in GaInP as a function of doping. Minority electron mobility values are determined by performing time resolved photoluminescence measurements of carrier lifetime on the same samples. Values at 300 K vary from ∼2000 to 400 cm{sup 2}/V s and decrease with increasing doping. Anisotropic diffusion lengths and strongly polarized photoluminescence are observed, resulting from lateral composition modulation along the [110] direction. We report anisotropic mobility values associated with carrier transport parallel and perpendicular to the modulation direction.

  15. Photoinduced electron transfer and solvation in iodide-doped acetonitrile clusters.

    Science.gov (United States)

    Ehrler, Oli T; Griffin, Graham B; Young, Ryan M; Neumark, Daniel M

    2009-04-02

    We have used ultrafast time-resolved photoelectron imaging to measure charge transfer dynamics in iodide-doped acetonitrile clusters I(-)(CH(3)CN)(n) with n = 5-10. Strong modulations of vertical detachment energies were observed following charge transfer from the halide, allowing interpretation of the ongoing dynamics. We observe a sharp drop in the vertical detachment energy (VDE) within 300-400 fs, followed by a biexponential increase that is complete by approximately 10 ps. Comparison to theory suggests that the iodide is internally solvated and that photodetachment results in formation of a diffuse electron cloud in a confined cavity. We interpret the initial drop in VDE as a combination of expansion of the cavity and localization of the excess electron on one or two solvent molecules. The subsequent increase in VDE is attributed to a combination of the I atom leaving the cavity and rearrangement of the acetonitrile molecules to solvate the electron. The n = 5-8 clusters then show a drop in VDE of around 50 meV on a much longer time scale. The long-time VDEs are consistent with those of (CH(3)CN)(n)(-) clusters with internally solvated electrons. Although the excited-state created by the pump pulse decays by emission of a slow electron, no such decay is seen by 200 ps.

  16. Helium induced fine structure in the electronic spectra of anthracene derivatives doped into superfluid helium nanodroplets

    International Nuclear Information System (INIS)

    Pentlehner, D.; Slenczka, A.

    2015-01-01

    Electronic spectra of organic molecules doped into superfluid helium nanodroplets show characteristic features induced by the helium environment. Besides a solvent induced shift of the electronic transition frequency, in many cases, a spectral fine structure can be resolved for electronic and vibronic transitions which goes beyond the expected feature of a zero phonon line accompanied by a phonon wing as known from matrix isolation spectroscopy. The spectral shape of the zero phonon line and the helium induced phonon wing depends strongly on the dopant species. Phonon wings, for example, are reported ranging from single or multiple sharp transitions to broad (Δν > 100 cm −1 ) diffuse signals. Despite the large number of example spectra in the literature, a quantitative understanding of the helium induced fine structure of the zero phonon line and the phonon wing is missing. Our approach is a systematic investigation of related molecular compounds, which may help to shed light on this key feature of microsolvation in superfluid helium droplets. This paper is part of a comparative study of the helium induced fine structure observed in electronic spectra of anthracene derivatives with particular emphasis on a spectrally sharp multiplet splitting at the electronic origin. In addition to previously discussed species, 9-cyanoanthracene and 9-chloroanthracene will be presented in this study for the first time

  17. High energy electron irradiation effects on Ga-doped ZnO thin films for optoelectronic space applications

    Science.gov (United States)

    Serrao, Felcy Jyothi; Sandeep, K. M.; Bhat, Shreesha; Dharmaprakash, S. M.

    2018-03-01

    Gallium-doped ZnO (GZO) thin films of thickness 394 nm were prepared by a simple, cost-effective sol-gel spin coating method. The effect of 8 MeV electron beam irradiation with different irradiation doses ranging from 0 to 10 kGy on the structural, optical and electrical properties was investigated. Electron irradiation influences the changes in the structural properties and surface morphology of GZO thin films. X-ray diffraction analysis showed that the polycrystalline nature of the GZO films is unaffected by the high energy electron irradiation. The grain size and the surface roughness were found maximum for the GZO film irradiated with 10 kGy electron dosage. The average transmittance of GZO thin films decreased after electron irradiation. The optical band gap of Ga-doped ZnO films was decreased with the increase in the electron dosage. The electrical resistivity of GZO films decreased from 4.83 × 10-3 to 8.725 × 10-4 Ω cm, when the electron dosage was increased from 0 to 10 kGy. The variation in the optical and electrical properties in the Ga-doped ZnO thin films due to electron beam irradiation in the present study is useful in deciding their compatibility in optoelectronic device applications in electron radiation environment.

  18. Strain-induced metal-insulator phase coexistence in perovskite manganites.

    Science.gov (United States)

    Ahn, K H; Lookman, T; Bishop, A R

    2004-03-25

    The coexistence of distinct metallic and insulating electronic phases within the same sample of a perovskite manganite, such as La(1-x-y)Pr(y)Ca(x)MnO3, presents researchers with a tool for tuning the electronic properties in materials. In particular, colossal magnetoresistance in these materials--the dramatic reduction of resistivity in a magnetic field--is closely related to the observed texture owing to nanometre- and micrometre-scale inhomogeneities. Despite accumulated data from various high-resolution probes, a theoretical understanding for the existence of such inhomogeneities has been lacking. Mechanisms invoked so far, usually based on electronic mechanisms and chemical disorder, have been inadequate to describe the multiscale, multiphase coexistence within a unified picture. Moreover, lattice distortions and long-range strains are known to be important in the manganites. Here we show that the texturing can be due to the intrinsic complexity of a system with strong coupling between the electronic and elastic degrees of freedom. This leads to local energetically favourable configurations and provides a natural mechanism for the self-organized inhomogeneities over both nanometre and micrometre scales. The framework provides a physical understanding of various experimental results and a basis for engineering nanoscale patterns of metallic and insulating phases.

  19. Chemical disorder influence on magnetic state of optimally-doped La0.7Ca0.3MnO3

    Science.gov (United States)

    Rozenberg, E.; Auslender, M.; Shames, A. I.; Jung, G.; Felner, I.; Tsindlekht, M. I.; Mogilyansky, D.; Sominski, E.; Gedanken, A.; Mukovskii, Ya. M.; Gorodetsky, G.

    2011-10-01

    X-band electron magnetic resonance and dc/ac magnetic measurements have been employed to study the effects of chemical disorder on magnetic ordering in bulk and nanometer-sized single crystals and bulk ceramics of optimally-doped La0.7Ca0.3MnO3 manganite. The magnetic ground state of bulk samples appeared to be ferromagnetic with the lower Curie temperature and higher magnetic homogeneity in the vicinity of the ferromagnetic-paramagnetic phase transition in the crystal, as compared with those characteristics in the ceramics. The influence of technological driven "macroscopic" fluctuations of Ca-dopant level in crystal and "mesoscopic" disorder within grain boundary regions in ceramics was proposed to be responsible for these effects. Surface spin disorder together with pronounced inter-particle interactions within agglomerated nano-sample results in well defined core/shell spin configuration in La0.7Ca0.3MnO3 nano-crystals. The analysis of the electron paramagnetic resonance data enlightened the reasons for the observed difference in the magnetic order. Lattice effects dominate the first-order nature of magnetic phase transition in bulk samples. However, mesoscale chemical disorder seems to be responsible for the appearance of small ferromagnetic polarons in the paramagnetic state of bulk ceramics. The experimental results and their analysis indicate that a chemical/magnetic disorder has a strong impact on the magnetic state even in the case of mostly stable optimally hole-doped manganites.

  20. Electronic and magnetic properties of 1T-HfS{sub 2} by doping transition-metal atoms

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Xu, E-mail: zhaoxu@htu.cn [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Wang, Tianxing; Wang, Guangtao [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Dai, Xianqi [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Department of Physics, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Xia, Congxin [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); Yang, Lin [School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang 453007 (China)

    2016-10-15

    Highlights: • Pristine 1T-HfS{sub 2} is a semiconductor with indirect gaps of 1.250 eV • Magnetism can be observed for V, Cr, Mn, Fe, Co, and Cu doping. • Strong p–d hybridization was found between TM 3d orbitals and S 3p orbitals. • V-doped 1T-HfS{sub 2} is ideal for spin injection. - Abstract: We explored the electronic and magnetic properties of 1T-HfS{sub 2} doped by transition metal (TM) atom using the first-principles calculation. We doped the transition metal atoms from the IIIB to VIB groups in nonmagnetic 1T-HfS{sub 2}. Numerical results show that the pristine 1T-HfS{sub 2} is a semiconductor with indirect gaps of 1.250 eV. Magnetism can be observed for V, Cr, Mn, Fe, Co, and Cu doping. The polarized charges mainly arise from the localized 3d electrons of the TM atom. The strong p–d hybridization was found between the 3d orbitals of TM and 3p orbitals of S. The substituted 1T-HfS{sub 2} can be a metal, semiconductor or half-metal. Analysis of the band structure and magnetic properties indicates that TM-doped HfS{sub 2} (TM = V, Fe, Cu) are promising systems to explore two-dimensional diluted magnetic semiconductors. The formation energy calculations also indicate that it is energetically favorable and relatively easier to incorporate transition metal atom into the HfS{sub 2} under S-rich experimental conditions. In contrast, V-doped HfS{sub 2} has relatively wide half-metallic gap and low formation energy. So V-doped 1T-HfS{sub 2} is ideal for spin injection, which is important for application in semiconductor spintronics.

  1. Influence of nitrogen-doping concentration on the electronic structure of CuAlO{sub 2} by first-principles studies

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wei-wei, E-mail: zmliuwwliu@126.com; Chen, Hong-xia; Liu, Cheng-lin; Wang, Rong

    2017-02-05

    Effect of N doping concentration on the electronic structure of N-doped CuAlO{sub 2} was investigated by density functional theory based on generalized-gradient approximation plus orbital potential. Lattice parameters a and c both increase with increasing N-doping concentration. Formation energies increase with increasing N doping concentration and all N-doped CuAlO{sub 2} were structurally stable. The calculated band gaps for N-doped CuAlO{sub 2} narrowed compared to pure CuAlO{sub 2}, which was attributed to the stronger hybridization between Cu-3d and N-2p states and the downward shift of Cu-3p states in conduction bands. The higher the N-doping concentration is, the narrower the band gap. N-doped CuAlO{sub 2} shows a typical p-type semiconductor. The band structure changed from indirect to direct after N doping which will benefit the application of the CuAlO{sub 2} materials in optoelectronic and electronic devices. - Highlights: • Electronic structures of CuAlO{sub 2} with different N content were investigated. • The higher the N-doping concentration is, the narrower the band gap. • All the CuAlO{sub 2} with different N content were structurally stable. • The N-doped CuAlO{sub 2} shows a typical p-type semiconductor characteristic.

  2. Interface reconstruction with emerging charge ordering in hexagonal manganite

    Science.gov (United States)

    Xu, Changsong; Han, Myung-Geun; Bao, Shanyong; Nan, Cewen; Bellaiche, Laurent

    2018-01-01

    Multiferroic materials, which simultaneously have multiple orderings, hold promise for use in the next generation of memory devices. We report a novel self-assembled MnO double layer forming at the interface between a multiferroic YMnO3 film and a c-Al2O3 substrate. The crystal structures and the valence states of this MnO double layer were studied by atomically resolved scanning transmission electron microscopy and spectroscopy, as well as density functional theory (DFT) calculations. A new type of charge ordering has been identified within this MnO layer, which also contributes to a polarization along the [001] direction. DFT calculations further establish the occurrence of multiple couplings between charge and lattice in this novel double layer, in addition to the polarization in nearby YMnO3 single layer. The interface reconstruction reported here creates a new playground for emergent physics, such as giant ferroelectricity and strong magnetoelectric coupling, in manganite systems. PMID:29795782

  3. Transport and ordering of polarons in CER manganites PrCaMnO

    International Nuclear Information System (INIS)

    Schramm, S; Hoffmann, J; Jooss, Ch

    2008-01-01

    The temperature-dependent resistivity and the colossal resistance effect induced by strong electric fields of the small-band Pr 1-x Ca x MnO 3 (PCMO) manganites are analysed with respect to the influence of the Ca doping, post-annealing, the prehistory of the electric stimulation, and the physical dimensions of the sample. Despite the phase separation between charge and orbital ordered and disordered phases, PCMO reveals the properties of a homogeneous medium with a conductivity governed by the hopping of small polarons if the electric field is not too strong. In contrast, high electric fields induce a structural transition which gives rise to a glassy behaviour in the transient regime. In the low resistance state the small activation energy of charge carrier hopping implies a transition to large polaron hopping

  4. Synthesis and characterisation of La1-xNaxMnO3+δ thin films manganites

    International Nuclear Information System (INIS)

    Alessandri, I.; Malavasi, L.; Bontempi, E.; Mozzati, M.C.; Azzoni, C.B.; Flor, G.; Depero, L.E.

    2004-01-01

    Optimally sodium doped lanthanum manganite (LNMO) thin films have been grown onto differently oriented NdGaO 3 single crystals substrates by means of radio-frequency (RF)-magnetron sputtering technique, in order to investigate the role of the strain imposed by lattice mismatch on the magnetotransport properties. Films deposited onto NdGaO 3 (1 1 0) experiment a slight in-plane compressive strain that can be tuned by the thickness and allows to achieve colossal magnetoresistive effects. On the contrary, the change of the substrate orientation induces an in-plane tensile strain, making the film insulating. Above observations are explained by considering the effect of distortions of the Mn-O coordination polyhedra

  5. Device characteristics of organic light-emitting diodes based on electronic structure of the Ba-doped Alq3 layer.

    Science.gov (United States)

    Lim, Jong Tae; Kim, Kyung Nam; Yeom, Geun Young

    2009-12-01

    Organic light-emitting diodes (OLEDs) with a Ba-doped tris(8-quinolinolato)aluminum(III) (Alq3) layer were fabricated to reduce the barrier height for electron injection and to improve the electron conductivity. In the OLED consisting of glass/ITO/4,4',4"-tris[2-naphthylphenyl-1-phenylamino]triphenylamine (2-TNATA, 30 nm)/4,4'-bis[N-(1-napthyl)-N-phenyl-amino]-biphenyl (NPB, 18 nm)/Alq3 (42 nm)/Ba-doped Alq3 (20 nm, x%: x = 0, 10, 25, and 50)/Al (100 nm), the device with the Alq3 layer doped with 10% Ba showed the highest light out-coupling characteristic. However, as the Ba dopant concentration was increased from 25% to 50%, this device characteristic was largely reduced. The characteristics of these devices were interpreted on the basis of the chemical reaction between Ba and Alq3 and the electron injection property by analyzing the electronic structure of the Ba-doped Alq3 layer. At a low Ba doping of 10%, mainly the Alq3 radical anion species was formed. In addition, the barrier height for electron injection in this layer was decreased to 0.6 eV, when compared to the pristine Alq3 layer. At a high Ba doping of 50%, the Alq3 molecules were severely decomposed. When the Ba dopant concentration was changed, the light-emitting characteristics of the devices were well coincided with the formation mechanism of Alq3 radical anion and Alq3 decomposition species.

  6. New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO3−δ

    KAUST Repository

    Dehkordi, Arash Mehdizadeh; Bhattacharya, Sriparna; Darroudi, Taghi; Alshareef, Husam N.; Tritt, Terry M.

    2015-01-01

    versus Pr6O11) on the synthesis and electronic transport in Pr-doped SrTiO3 ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our

  7. Improved performance of quantum dot light emitting diode by modulating electron injection with yttrium-doped ZnO nanoparticles

    Science.gov (United States)

    Li, Jingling; Guo, Qiling; Jin, Hu; Wang, Kelai; Xu, Dehua; Xu, Yongjun; Xu, Gang; Xu, Xueqing

    2017-10-01

    In a typical light emitting diode (QD-LED), with ZnO nanoparticles (NPs) serving as the electron transport layer (ETL) material, excessive electron injection driven by the matching conduction band maximum (CBM) between the QD and this oxide layer usually causes charge imbalance and degrades the device performance. To address this issue, the electronic structure of ZnO NPs is modified by the yttrium (Y) doping method. We demonstrate that the CBM of ZnO NPs has a strong dependence on the Y-doping concentration, which can be tuned from 3.55 to 2.77 eV as the Y doping content increases from 0% to 9.6%. This CBM variation generates an enlarged barrier between the cathode and this ZnO ETL benefits from the modulation of electron injection. By optimizing electron injection with the use of a low Y-doped (2%) ZnO to achieve charge balance in the QD-LED, device performance is significantly improved with maximum luminance, peak current efficiency, and maximal external quantum efficiency increase from 4918 cd/m2, 11.3 cd/A, and 4.5% to 11,171 cd/m2, 18.3 cd/A, and 7.3%, respectively. This facile strategy based on the ETL modification enriches the methodology of promoting QD-LED performance.

  8. Dynamic behavior of correlated electrons in the insulating doped semiconductor Si:P

    Energy Technology Data Exchange (ETDEWEB)

    Ritz, Elvira

    2009-06-04

    At low energy scales charge transport in the insulating Si:P is dominated by activated hopping between the localized donor electron states. Theoretical models for a disordered electronic system with a long-range Coulomb interaction are appropriate to interpret the electric conductivity spectra. With a novel and advanced method we perform broadband phase sensitive measurements of the reflection coefficient from 45 MHz up to 5 GHz, employing a vector network analyzer with a 2.4 mm coaxial sensor, which is terminated by the sample under test. While the material parameters (conductivity and permittivity) can be easily extracted from the obtained impedance data if the sample is metallic, no direct solution is possible if the material under investigation is an insulator. Focusing on doped semiconductors with largely varying conductivity and dielectric function, we present a closed calibration and evaluation procedure with an optimized theoretical and experimental complexity, based on the rigorous solution for the electromagnetic field inside the insulating sample, combined with the variational principle. Basically no limiting assumptions are necessary in a strictly defined parameter range. As an application of our new method, we have measured the complex broadband microwave conductivity of Si:P in a broad range of phosphorus concentration n/n{sub c} from 0.56 to 0.9 relative to the critical value n{sub c}=3.5 x 10{sup 18} cm{sup -3} of the metal-insulator transition driven by doping at temperatures down to 1.1 K, and studied unresolved issues of fundamental research concerning the electronic correlations and the metal-insulator transition. (orig.)

  9. Electron and hole doping effects in Sr{sub 2}FeMoO{sub 6} double perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez, D. E-mail: diana.sanchez@icmm.csic.es; Alonso, J.A.; Garcia-Hernandez, M.; Martinez-Lope, M.J.; Casais, M.T.; Martinez, J.L.; Fernandez-Diaz, M.T

    2004-05-01

    Electron and hole doping effects in the ferromagnetic and structural properties of the double perovskite Sr{sub 2}FeMoO{sub 6} are studied along the series Sr{sub 2-x}La{sub x}FeMoO{sub 6} (0{<=}x{<=}1) and Sr{sub 2-x}FeMoO{sub 6} (0{<=}x{<=}0.4) from neutron powder diffraction and magnetization data. Sr-deficient samples (hole doped) show moderate changes in the structure and both T{sub c} and M{sub s} rapidly decrease with x. On the contrary, a change from tetragonal to monoclinic symmetry and a non monotonic behaviour in T{sub c} is found in the La-substituted series (electron doped)

  10. Tuning electronic transport via hepta-alanine peptides junction by tryptophan doping.

    Science.gov (United States)

    Guo, Cunlan; Yu, Xi; Refaely-Abramson, Sivan; Sepunaru, Lior; Bendikov, Tatyana; Pecht, Israel; Kronik, Leeor; Vilan, Ayelet; Sheves, Mordechai; Cahen, David

    2016-09-27

    Charge migration for electron transfer via the polypeptide matrix of proteins is a key process in biological energy conversion and signaling systems. It is sensitive to the sequence of amino acids composing the protein and, therefore, offers a tool for chemical control of charge transport across biomaterial-based devices. We designed a series of linear oligoalanine peptides with a single tryptophan substitution that acts as a "dopant," introducing an energy level closer to the electrodes' Fermi level than that of the alanine homopeptide. We investigated the solid-state electron transport (ETp) across a self-assembled monolayer of these peptides between gold contacts. The single tryptophan "doping" markedly increased the conductance of the peptide chain, especially when its location in the sequence is close to the electrodes. Combining inelastic tunneling spectroscopy, UV photoelectron spectroscopy, electronic structure calculations by advanced density-functional theory, and dc current-voltage analysis, the role of tryptophan in ETp is rationalized by charge tunneling across a heterogeneous energy barrier, via electronic states of alanine and tryptophan, and by relatively efficient direct coupling of tryptophan to a Au electrode. These results reveal a controlled way of modulating the electrical properties of molecular junctions by tailor-made "building block" peptides.

  11. Hydrogen doped thin film diamond. Properties and application for electronic devices

    International Nuclear Information System (INIS)

    Looi, H.J.

    2000-01-01

    The face centered cubic allotrope of carbon, diamond, is a semiconducting material which possesses a valuable combination of extreme properties such as super-hardness, highest thermal conductivity, chemical hardness, radiation hardness, wide bandgap and others. Advances in chemical vapour deposition (CVD) technology have lead to diamond becoming available in previously unattainable forms for example over large areas and with controllable purity. This has generated much research interest towards developing the knowledge and processing technology that would be necessary to fully exploit these extreme properties. Electronic devices fabricated on oxidised boron doped polycrystalline CVD diamond (PCD) displayed very poor and inconsistent characteristic. As a result, many electronic applications of polycrystalline diamond films were confined to ultra-violet (UV) and other forms of device which relied on the high intrinsic resistivity on undoped diamond films. If commercially accessible PCD films are to advance in areas which involve sophisticated electronic applications or to compete with existing semiconductors, the need for a more reliable and fully ionised dopant is paramount. This thesis describes a unique dopant discovered within the growth surface of PCD films. This dopant is related to hydrogen which arises during the growth of diamond films. The aim of this study is to characterise and identify possible applications for this form of dopant. The mechanism for carrier generation remains unknown and based on the experimental results in this work, a model is proposed. The Hall measurements conducted on this conductive layer revealed a p-type nature with promising properties for electronic device application. A more detail study based on electrical and surface science methods were carried out to identify the stability and operating conditions for this dopant. The properties of metal-semiconductor contacts on these surfaces were investigated. The fundamental knowledge

  12. Deep level centers in electron-irradiated silicon crystals doped with copper at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Yarykin, Nikolai [Institute of Microelectronics Technology, RAS, Chernogolovka (Russian Federation); Weber, Joerg [Technische Universitaet Dresden (Germany)

    2017-07-15

    The effect of bombardment with energetic particles on the deep-level spectrum of copper-contaminated silicon wafers is studied by space charge spectroscopy methods. The p-type FZ-Si wafers were doped with copper in the temperature range of 645-750 C and then irradiated with the 10{sup 15} cm{sup -2} fluence of 5 MeV electrons at room temperature. Only the mobile Cu{sub i} species and the Cu{sub PL} centers are detected in significant concentrations in the non-irradiated Cu-doped wafers. The properties of the irradiated samples are found to qualitatively depend on the copper in-diffusion temperature T{sub diff}. For T{sub diff} > 700 C, the irradiation partially reduces the Cu{sub i} concentration and introduces additional Cu{sub PL} centers while no standard radiation defects are detected. If T{sub diff} was below ∝700 C, the irradiation totally removes the mobile Cu{sub i} species. Instead, the standard radiation defects and their complexes with copper appear in the deep-level spectrum. A model for the defects reaction scheme during the irradiation is derived and discussed. DLTS spectrum of the Cu-contaminated and then irradiated silicon qualitatively depends on the copper in-diffusion temperature. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Phosphorus Doping Using Electron Cyclotron Resonance Plasma for Large-Area Polycrystalline Silicon Thin Film Transistors

    Science.gov (United States)

    Kakinuma, Hiroaki; Mohri, Mikio; Tsuruoka, Taiji

    1994-01-01

    We have investigated phosphorus doping using an electron cyclotron resonance (ECR) plasma, for application to the poly-Si driving circuits of liquid crystal displays or image sensors. The PH3/He was ionized and accelerated to poly-Si and c-Si substrates with a self bias of -220 V. The P concentration, as detected by secondary ion mass spectroscopy (SIMS), is ˜5×1021 cm-3 at the surface, which decayed to ˜1017 cm-3 within 50 100 nm depth. The surface is found to be etched during doping. The etching is restored by adding a small amount of SiH4 and the sheet resistance R s decreases. The optimized as-irradiated R s is ˜ 1× 105 Ω/\\Box and 1.7× 102 Ω/\\Box for poly-Si and (110) c-Si, respectively. The dependence of R s on the substrates and the anomalous diffusion constants derived from SIMS are also discussed.

  14. Electronic structure and p-type doping of ZnSnN2

    Science.gov (United States)

    Wang, Tianshi; Janotti, Anderson; Ni, Chaoying

    ZnSnN2 is a promising solar-cell absorber material composed of earth abundant elements. Little is known about doping, defects, and how the valence and conduction bands in this material align with the bands in other semiconductors. Using density functional theory with the the Heyd-Scuseria-Ernzerhof hybrid functional (HSE06), we investigate the electronic structure of ZnSnN2, its band alignment to other semiconductors, such as GaN and ZnO, the possibility of p-type doping, and the possible causes of the observed unintentional n-type conductivity. We find that the position of the valence-band maximum of ZnSnN2 is 0.55 eV higher than that of GaN, yet the conduction-band minimum is close to that in ZnO. As possible p-type dopants, we explore Li, Na, and K substituting on the Zn site. Finally, we discuss the cause of unintentional n-type conductivity by analyzing the position of the conduction-band minimum with respect to that of GaN and ZnO.

  15. Structure and properties of electron-doped Ca1-xSmxMnO3 nanoparticles

    International Nuclear Information System (INIS)

    Sanmathi, C.S.; Retoux, R.; Singh, M.P.; Noudem, J.

    2009-01-01

    In this paper, we report the structural and magnetic properties of electron-doped Ca 1-x Sm x MnO 3 (CSM) nanoparticles. The samarium's composition 'x' was varied from 0 to 0.2 with the special attention up to 0.05. Spherical 60-70 nm polycrystalline CSM nanoparticles were synthesised by chemical co-precipitation technique. Doping of Sm 3+ in antiferromagnetic CaMnO 3 has drastically altered its magnetic behavior due to the formation of ferromagnetic clusters. For example, the CSM powder with x = 0.04 displays about 115 K magnetic Curie temperature and about 0.1 emu/mole saturation magnetization. Physical properties of our nano-CSM powders are also compared with identical bulk-samples. To understand the differences, we invoked the intra-grain and inter-grain magnetic coupling process that facilitates to enhance their ferromagnetic behaviors. Unlike the bulk samples, such magnetic couplings in nanoparticles are favored by the presence of low-level crystal and interfacial defects

  16. Structural, magnetic and electronic structural properties of Mn doped CeO2 nanoparticles

    Science.gov (United States)

    Kumari, Kavita; Vij, Ankush; Hashim, Mohd.; Chae, K. H.; Kumar, Shalendra

    2018-05-01

    Nanoparticles of Ce1-xMnxO2, (x=0.0, 0.01, and 0.05) have been synthesized by using co-precipitation method, and then characterized by x-ray diffraction (XRD), transmission electron microscopy (TEM), near edge x-ray absorption fine structure (NEXAFS) spectroscopy and dc magnetization measurements. XRD results clearly showed that the all the samples have single phase nature and exclude the presence of any secondary phase. The average particle size calculated using XRD TEM measurements found to decrease with increase in Mn doping in the range of 4.0 - 9.0 nm. The structural parameters such as strain, interplaner distance and lattice parameter is observed to decrease with increase in doping. The morphology of Ce1-xMnxO2 nanoparticles measured using TEM micrographs indicate that nanoparticle have spherical shape morphology. Magnetic hysteresis curve for Ce1-xMnxO2, (x = 0.0, 0.01, and 0.05) confirms the ferromagnetic ordering room temperature. The value of saturation magnetization is observed to decrease with increase in temperature from 10 K to 300 K. The NEXAFS spectra measured at Ce M4,5 edge reveals that Ce-ions are in +4 valance state.

  17. Correlation between modulation structure and electronic inhomogeneity on Pb-doped Bi-2212 single crystals

    International Nuclear Information System (INIS)

    Sugimoto, A.; Kashiwaya, S.; Eisaki, H.; Yamaguchi, H.; Oka, K.; Kashiwaya, H.; Tsuchiura, H.; Tanaka, Y.

    2005-01-01

    The correlation between nanometer-size electronic states and surface structure is investigated by scanning tunneling microscopy/spectroscopy (STM/S) on Pb-doped Bi 2-x Pb x Sr 2 CaCu2O 8+y (Pb-Bi-2212) single crystals. The advantage of the Pb-Bi-2212 samples is that the modulation structure can be totally or locally suppressed depending on the Pb contents and annealing conditions. The superconducting gap (Δ) distribution on modulated Pb-Bi-2212 samples showed the lack of correlation with modulation structure except a slight reduction of superconducting island size for the b-axis direction. On the other hand, the optimal doped Pb-Bi-2212 (x = 0.6) samples obtained by reduced-annealing showed totally non-modulated structure in topography, however, the spatial distribution of Δ still showed inhomogeneity of which features were quite similar to those of modulated samples. These results suggest that the modulation structure is not the dominant origin of inhomogeneity although it modifies the streaky Δ structure sub-dominantly. From the gap structure variation around the border of narrow gap and broad gap regions, a trend of the coexistence of two separated phases i.e., superconducting phase and pseudogap like phase, is detected

  18. Electronic and physico-chemical properties of nanometric boron delta-doped diamond structures

    International Nuclear Information System (INIS)

    Chicot, G.; Fiori, A.; Tran Thi, T. N.; Bousquet, J.; Delahaye, J.; Grenet, T.; Eon, D.; Omnès, F.; Bustarret, E.; Volpe, P. N.; Tranchant, N.; Mer-Calfati, C.; Arnault, J. C.; Gerbedoen, J. C.; Soltani, A.; De Jaeger, J. C.; Alegre, M. P.; Piñero, J. C.; Araújo, D.; Jomard, F.

    2014-01-01

    Heavily boron doped diamond epilayers with thicknesses ranging from 40 to less than 2 nm and buried between nominally undoped thicker layers have been grown in two different reactors. Two types of [100]-oriented single crystal diamond substrates were used after being characterized by X-ray white beam topography. The chemical composition and thickness of these so-called delta-doped structures have been studied by secondary ion mass spectrometry, transmission electron microscopy, and spectroscopic ellipsometry. Temperature-dependent Hall effect and four probe resistivity measurements have been performed on mesa-patterned Hall bars. The temperature dependence of the hole sheet carrier density and mobility has been investigated over a broad temperature range (6 K  2 /Vs, independently of the layer thickness and the substrate type. Comparison with previously published data and theoretical calculations showed that scattering by ionized impurities explained only partially this low common value. None of the delta-layers showed any sign of confinement-induced mobility enhancement, even for thicknesses lower than 2 nm

  19. The structural, electronic and optical properties of Nd doped ZnO using first-principles calculations

    Science.gov (United States)

    Wen, Jun-Qing; Zhang, Jian-Min; Chen, Guo-Xiang; Wu, Hua; Yang, Xu

    2018-04-01

    The density functional theory calculations using general gradient approximation (GGA) applying Perdew-Burke-Ernzerhof (PBE) as correlation functional have been systematically performed to research the formation energy, the electronic structures, band structures, total and partial DOS, and optical properties of Nd doping ZnO with the content from 6.25% to 12.5%. The formation energies are negative for both models, which show that two structures are energetically stable. Nd doping ZnO crystal is found to be a direct band gap semiconductor and Fermi level shifts upward into conduction band, which show the properties of n-type semiconductor. Band structures are more compact after Nd doping ZnO, implying that Nd doping induces the strong interaction between different atoms. Nd doping ZnO crystal presents occupied states at near Fermi level, which mainly comes from the Nd 4f orbital. The calculated optical properties imply that Nd doping causes a red-shift of absorption peaks, and enhances the absorption of the visible light.

  20. Electron, hole and exciton self-trapping in germanium doped silica glass from DFT calculations with self-interaction correction

    International Nuclear Information System (INIS)

    Du Jincheng; Rene Corrales, L.; Tsemekhman, Kiril; Bylaska, Eric J.

    2007-01-01

    Density functional theory (DFT) calculations were employed to understand the refractive index change in germanium doped silica glasses for the trapped states of electronic excitations induced by UV irradiation. Local structure relaxation and excess electron density distribution were calculated upon self-trapping of an excess electron, hole, and exciton in germanium doped silica glass. The results show that both the trapped exciton and excess electron are highly localized on germanium ion and, to some extent, on its oxygen neighbors. Exciton self-trapping is found to lead to the formation of a Ge E' center and a non-bridging hole center. Electron trapping changes the GeO 4 tetrahedron structure into trigonal bi-pyramid with the majority of the excess electron density located along the equatorial line. The self-trapped hole is localized on bridging oxygen ions that are not coordinated to germanium atoms that lead to elongation of the Si-O bonds and change of the Si-O-Si bond angles. We carried out a comparative study of standard DFT versus DFT with a hybrid PBE0 exchange and correlation functional. The results show that the two methods give qualitatively similar relaxed structure and charge distribution for electron and exciton trapping in germanium doped silica glass; however, only the PBE0 functional produces the self-trapped hole

  1. Electronic transport in heavily doped Ag/n-Si composite films

    Directory of Open Access Journals (Sweden)

    Clayton W. Bates Jr.

    2013-10-01

    Full Text Available Hall measurements characterized Ag/n-Si composite films 1 micron thick produced by magnetron co-sputtering onto high resistivity Si (111 substrates at 550°C. The targets were Ag and n-type Si doped with 3 × 1019/cm3 of antimony. Films were prepared with 13, 16 and 22 at. % Ag and measured over a temperature range 77–500°K. Conduction takes place at low temperatures by variable rang hopping in localized states at the Fermi level and by thermal activation over grain boundaries at higher temperatures. The Log Resistivity vs 1/kT curves for the three Ag concentrations vary in a similar manner, but decrease in magnitude with increasing Ag due to the smaller number of grain boundaries between Ag nanoparticles occurring with increasing Ag concentration. At low temperatures Hall mobilities are essentially independent of temperature as the carrier densities for the three Ag concentrations are constant from 77 to slightly under 300°K with resistivities varying by small amounts. The mobilities at all Ag concentrations increase with temperature and approach each other as the effects of grain boundaries become less important. This work presents for the first time the effects of metal particles embedded in a semiconductor on the transport properties of carriers in the semiconductor. Though these effects are for a given average particle size most of the results are expected to hold over a range of particle sizes. Free electrons produced in films containing 13 and 16 at. % Ag result in concentrations of 1.5 × 1019/cm3, one half the antimony doping, while those with 22 at. % Ag, the carrier concentrations are three orders of magnitude higher. These constant carrier concentrations are due to the metal-insulator transition that occurs in doped crystalline and polycrystalline silicon for carrier densities nc >3.9 × 1018/cm3. The three orders of magnitude higher carrier concentration produced in films with 22 at. % Ag is argued to be due to doping of the Si

  2. Structural, electronic, and hyperfine properties of pure and Ta-doped em>m>-ZrO2

    DEFF Research Database (Denmark)

    Taylor, M.A.; Alonso, R.E.; Errico, L.A.

    2012-01-01

    plane wave plus local orbital (APW+lo) method was applied to treat the electronic structure of the doped system including the atomic relaxations introduced by the impurities in the host in a fully self-consistent way using a supercell approach. Different charge states of the Ta impurity were considered...

  3. Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping

    DEFF Research Database (Denmark)

    Mowbray, Duncan; Martinez, Jose Ignacio; García Lastra, Juan Maria

    2009-01-01

    We address one of the main challenges to TiO2 photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2’s electronic properties for small 0D clusters, 1D nanorods and nanotubes, 2D layers, and 3D surface and bulk phases using differe...

  4. Visible light induced electron transfer process over nitrogen doped TiO2 nanocrystals prepared by oxidation of titanium nitride

    International Nuclear Information System (INIS)

    Wu Zhongbiao; Dong Fan; Zhao Weirong; Guo Sen

    2008-01-01

    Nitrogen doped TiO 2 nanocrystals with anatase and rutile mixed phases were prepared by incomplete oxidation of titanium nitride at different temperatures. The as-prepared samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), core level X-ray photoelectron spectroscopy (CL XPS), valence band X-ray photoelectron spectroscopy (VB XPS), UV-vis diffuse reflectance spectra (UV-vis DRS), and visible light excited photoluminescence (PL). The photocatalytic activity was evaluated for photocatalytic degradation of toluene in gas phase under visible light irradiation. The visible light absorption and photoactivities of these nitrogen doped TiO 2 nanocrystals can be clearly attributed to the change of the additional electronic (N - ) states above the valence band of TiO 2 modified by N dopant as revealed by the VB XPS and visible light induced PL. A band gap structure model was established to explain the electron transfer process over nitrogen doped TiO 2 nanocrystals under visible light irradiation, which was consistent with the previous theoretical and experimental results. This model can also be applied to understand visible light induced photocatalysis over other nonmetal doped TiO 2

  5. Dual structure in the charge excitation spectrum of electron-doped cuprates

    Science.gov (United States)

    Bejas, Matías; Yamase, Hiroyuki; Greco, Andrés

    2017-12-01

    Motivated by the recent resonant x-ray scattering (RXS) and resonant inelastic x-ray scattering (RIXS) experiments for electron-doped cuprates, we study the charge excitation spectrum in a layered t -J model with the long-range Coulomb interaction. We show that the spectrum is not dominated by a specific type of charge excitations, but by different kinds of charge fluctuations, and is characterized by a dual structure in the energy space. Low-energy charge excitations correspond to various types of bond-charge fluctuations driven by the exchange term (J term), whereas high-energy charge excitations are due to usual on-site charge fluctuations and correspond to plasmon excitations above the particle-hole continuum. The interlayer coupling, which is frequently neglected in many theoretical studies, is particularly important to the high-energy charge excitations.

  6. Electrical, optical and photoelectric properties of cadmium sulfide monocrystals doped by indium and irradiated by electrons

    CERN Document Server

    Davidyuk, G E; Manzhara, V S

    2002-01-01

    One studied effect of irradiation by E = 1.2 MeV energy and PHI = 2 x 10 sup 1 sup 7 cm sup - sup 2 dose fast electrons on electrical, optical and photoelectrical CdS single-crystals doped by In. On the basis of analysis of the experimental results one makes conclusions about decomposition and, in this case, indium atoms occurring in cation sublattice nodes are knocked out by cadmium atoms. In CdS:In irradiated specimens one detected new centres of slow recombination with occurrence of maximums of photoconductivity optical suppression within lambda sub M sub sub 1 = 0.75 mu m and lambda sub M sub sub 2 = 1.03 mu m range. It is assumed that complexes containing cadmium vacancies and indium atoms are responsible for recombination new centres

  7. The electronic structure and ferromagnetism of TM (TM=V, Cr, and Mn)-doped BN(5, 5) nanotube: A first-principles study

    International Nuclear Information System (INIS)

    He, K.H.; Zheng, G.; Chen, G.; Wan, M.; Ji, G.F.

    2008-01-01

    We study the electronic structure and ferromagnetism of V-, Cr-, and Mn-doped single-wall BN(5, 5) nanotube by using polarized spin calculations within first principles. The optimized structures show that the transition-metal atoms move outwards and the calculated electronic properties demonstrate that the isolated V-, Cr-, and Mn-doped BN(5, 5) nanotubes show half-metallicity. The total ferromagnetic moments are 2μ B , 3.02μ B , and 3.98μ B for V-, Cr-, and Mn-doped BN(5, 5), respectively. The study suggests that such transition-metal (TM)-doped nanotubes may be useful in spintronics and nanomagnets

  8. Towards understanding the electronic structure of Fe-doped CeO2 nanoparticles with X-ray spectroscopy.

    Science.gov (United States)

    Wang, Wei-Cheng; Chen, Shih-Yun; Glans, Per-Anders; Guo, Jinghua; Chen, Ren-Jie; Fong, Kang-Wei; Chen, Chi-Liang; Gloter, Alexandre; Chang, Ching-Lin; Chan, Ting-Shan; Chen, Jin-Ming; Lee, Jyh-Fu; Dong, Chung-Li

    2013-09-21

    This study reports on the electronic structure of Fe-doped CeO2 nanoparticles (NPs), determined by coupled X-ray absorption spectroscopy and X-ray emission spectroscopy. A comparison of the local electronic structure around the Ce site with that around the Fe site indicates that the Fe substitutes for the Ce. The oxygen K-edge spectra that originated from the hybridization between cerium 4f and oxygen 2p states are sensitive to the oxidation state and depend strongly on the concentration of Fe doping. The Ce M(4,5)-edges and the Fe L(2,3)-edges reveal the variations of the charge states of Ce and Fe upon doping, respectively. The band gap is further obtained from the combined absorption-emission spectrum and decreased upon Fe doping, implying Fe doping introduces vacancies. The oxygen vacancies are induced by Fe doping and the spectrum reveals the charge transfer between Fe and Ce. Fe(3+) doping has two major effects on the formation of ferromagnetism in CeO2 nanoparticles. The first, at an Fe content of below 5%, is that the formation of Fe(3+)-Vo-Ce(3+) introduces oxygen deficiencies favoring ferromagnetism. The other, at an Fe content of over 5%, is the formation of Fe(3+)-Vo-Fe(3+), which favors antiferromagnetism, reducing the Ms. The defect structures Fe(3+)-Vo-Ce(3+) and Fe(3+)-Vo-Fe(3+) are crucial to the magnetism in these NPs and the change in Ms can be described as the effect of competitive interactions of magnetic polarons and paired ions.

  9. Carbon doped GaN buffer layer using propane for high electron mobility transistor applications: Growth and device results

    Energy Technology Data Exchange (ETDEWEB)

    Li, X.; Nilsson, D.; Danielsson, Ö.; Pedersen, H.; Janzén, E.; Forsberg, U. [Department of Physics, Chemistry, and Biology (IFM), Linköping University, Linköping 58183 (Sweden); Bergsten, J.; Rorsman, N. [Microwave Electronics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, Göteborg 41296 (Sweden)

    2015-12-28

    The creation of a semi insulating (SI) buffer layer in AlGaN/GaN High Electron Mobility Transistor (HEMT) devices is crucial for preventing a current path beneath the two-dimensional electron gas (2DEG). In this investigation, we evaluate the use of a gaseous carbon gas precursor, propane, for creating a SI GaN buffer layer in a HEMT structure. The carbon doped profile, using propane gas, is a two stepped profile with a high carbon doping (1.5 × 10{sup 18 }cm{sup −3}) epitaxial layer closest to the substrate and a lower doped layer (3 × 10{sup 16 }cm{sup −3}) closest to the 2DEG channel. Secondary Ion Mass Spectrometry measurement shows a uniform incorporation versus depth, and no memory effect from carbon doping can be seen. The high carbon doping (1.5 × 10{sup 18 }cm{sup −3}) does not influence the surface morphology, and a roughness root-mean-square value of 0.43 nm is obtained from Atomic Force Microscopy. High resolution X-ray diffraction measurements show very sharp peaks and no structural degradation can be seen related to the heavy carbon doped layer. HEMTs are fabricated and show an extremely low drain induced barrier lowering value of 0.1 mV/V, demonstrating an excellent buffer isolation. The carbon doped GaN buffer layer using propane gas is compared to samples using carbon from the trimethylgallium molecule, showing equally low leakage currents, demonstrating the capability of growing highly resistive buffer layers using a gaseous carbon source.

  10. Electronic and optical properties of Y-doped Si{sub 3}N{sub 4} by density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Zhifeng [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Chen, Fei, E-mail: chenfei027@gmail.com [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Key Laboratory of Advanced Technology for Specially Functional Materials, Ministry of Education, Wuhan University of Technology, Wuhan 430070 (China); Su, Rui; Wang, Zhihao; Li, Junyang; Shen, Qiang [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Zhang, Lianmeng [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Key Laboratory of Advanced Technology for Specially Functional Materials, Ministry of Education, Wuhan University of Technology, Wuhan 430070 (China)

    2015-07-15

    Highlights: • Y-doped α-Si{sub 3}N{sub 4} and β-Si{sub 3}N{sub 4} are systematically investigated by DFT. • Impacts of local structure and bond character on electronic property are studied. • Static dielectric constants and optical absorption properties are investigated. - Abstract: Geometry structures, formation energies, electronic and optical properties of Y-doped α-Si{sub 3}N{sub 4} and β-Si{sub 3}N{sub 4} are investigated based on the density functional theory (DFT). The low values of formation energies indicate both Y-doped Si{sub 3}N{sub 4} models can be easily synthesized. Besides, the negative formation energies of α-Y{sub i}-Si{sub 3}N{sub 4} demonstrate that interstitial Y-doped α-Si{sub 3}N{sub 4} has an excellent stability. The energies of impurity levels are different resulting from the different chemical environment around Y atoms. The impurity levels localized in the band gap reduces the maximum energy gaps, which enhances the optical properties of Si{sub 3}N{sub 4}. The static dielectric constants become larger and the optical absorption spectra show the red-shift phenomena for all Y-doped Si{sub 3}N{sub 4} models.

  11. Structure, electronic properties, luminescence and chromaticity investigations of rare earth doped KMgBO{sub 3} phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jianghui; Cheng, Qijin [School of Energy Research, Xiamen University, Xiamen 361005 (China); Wu, Shunqing [Department of Physics, Xiamen University, Xiamen, 361005 (China); Zhuang, Yixi [College of Materials, Xiamen University, Xiamen 361005 (China); Guo, Ziquan; Lu, Yijun [Department of Electronic Science, Fujian Engineering Research Center for Solid-state Lighting, Xiamen University, Xiamen 361005 (China); Chen, Chao, E-mail: cchen@xmu.edu.cn [School of Energy Research, Xiamen University, Xiamen 361005 (China); Department of Physics, Xiamen University, Xiamen, 361005 (China); Department of Electronic Science, Fujian Engineering Research Center for Solid-state Lighting, Xiamen University, Xiamen 361005 (China)

    2015-09-01

    In this work, the optimization of the geometry and the electronic properties of the host matrix KMgBO{sub 3} were investigated using density functional theory, and the comprehensive photoluminescence and chromaticity properties on five rare earth ion-doped (RE = Ce{sup 3+}, Tm{sup 3+}, Tb{sup 3+}, Eu{sup 3+}, Dy{sup 3+}) KMgBO{sub 3} phosphors were also studied. By introducing RE ions into the KMgBO{sub 3} host, excellent purple, blue, green, red and white emitting light could be obtained under the near-ultraviolet light excitation. The results suggest that rare earth doped KMgBO{sub 3} phosphors are potential luminescence materials for the application in the near-ultraviolet white light-emitting diodes. - Highlights: • The electronic properties of the host matrix KMgBO{sub 3} were investigated. • The PL properties on rare earth ions doped KMgBO{sub 3} phosphors were studied. • The chromaticity properties on rare earth ions doped KMgBO{sub 3} samples were studied. • Tm{sup 3+} and Eu{sup 3+} doped KMgBO{sub 3} samples show higher color purity than commercial phosphors.

  12. A DFT study of the effects of Sc doping on electronic and optical properties of CdS nanoparticles

    Directory of Open Access Journals (Sweden)

    Ur Rehman Shafiq

    2015-12-01

    Full Text Available In the present work a systematic study was carried out to understand the influence of Sc doping on electronic and optical properties of CdS nanoparticles. The geometry optimization and symmetry computation for CdS and Sc doped CdS nanoparticles using Density Functional Theory (DFT on B3LYP level with the QZ4P for Cd and DZ2P for sulphur and Sc were performed by Amsterdam Density Functional (ADF. The results show that HOMO-LUMO gap as well as electronic and optical properties of CdS clusters vary with Sc doping. The HOMO-LUMO gap is affected by the dopant and its value decreases to 0.6 eV. Through considering the numerical integration scheme in the ADF package, we investigated different vibrational modes and our calculated Raman and IR spectra are consistent with the reported result. The calculated IR and Raman peaks of CdS and Sc doped CdS clusters were in the range of 100 to 289 cm−1, 60 cm−1 to 350 cm−1 and 99 cm−1 to 282 cm−1, 60 cm−1 to 350 cm−1, respectively, which was also confirmed by experiment as well as a blue shift occurrence. Subsequently, for deeper research of pure and doped CdS clusters, their absorption spectra were calculated using time-dependent DFT method.

  13. Nearest-neighbor Kitaev exchange blocked by charge order in electron doped $\\alpha$-RuCl$_{3}$

    OpenAIRE

    Koitzsch, A.; Habenicht, C.; Mueller, E.; Knupfer, M.; Buechner, B.; Kretschmer, S.; Richter, M.; Brink, J. van den; Boerrnert, F.; Nowak, D.; Isaeva, A.; Doert, Th.

    2017-01-01

    A quantum spin-liquid might be realized in $\\alpha$-RuCl$_{3}$, a honeycomb-lattice magnetic material with substantial spin-orbit coupling. Moreover, $\\alpha$-RuCl$_{3}$ is a Mott insulator, which implies the possibility that novel exotic phases occur upon doping. Here, we study the electronic structure of this material when intercalated with potassium by photoemission spectroscopy, electron energy loss spectroscopy, and density functional theory calculations. We obtain a stable stoichiometry...

  14. Electron-beam welding of thorium-doped iridium alloy sheets

    International Nuclear Information System (INIS)

    David, S.A.; Liu, C.T.; Hudson, J.D.

    1979-04-01

    Modified iridium alloys containing 100 ppM Th were found to be very susceptible to hot-cracking during gas tungsten-arc and electron-beam welding. However, the electron-beam welding process showed greater promise of success in welding these alloys, in particular Ir--0.3% W doped with 200 ppM Th and 50 ppM Al. The weldability of this particular alloy was extremely sensitive to the welding parameters, such as beam focus condition and welding speed, and the resulting fusion zone structure. At low speed successful electron-beam welds were made over a narrow range of beam focus conditions. However, at high speeds successful welds can be made over an extended range of focus conditions. The fusion zone grain structure is a strong function of welding speed and focus condition, as well. In the welds that showed hot-cracking, a region of positive segregation of thorium was identified at the fusion boundary. This highly thorium-segregated region seems to act as a potential source for the nucleation of a liquation crack, which later grows as a centerline crack

  15. Electronic and magnetic properties of 3d transition metal-doped strontium clusters: Prospective magnetic superatoms

    International Nuclear Information System (INIS)

    Chauhan, Vikas; Sen, Prasenjit

    2013-01-01

    Highlights: • Structural, electronic and magnetic properties of TM-Sr clusters are studied using DFT methods. • CrSr 9 and MnSr 10 have enhanced stability in the CrSr n and MnSrn series. • These two clusters behave as magnetic superatoms. • A qualitative understanding of the magnetic coupling between two superatom units is offered. • Reactivity of these superatoms to molecular oxygen also studied. - Abstract: Structural, electronic and magnetic properties of 3d transition metal doped strontium clusters are studied using first-principles electronic structure methods based on density functional theory. Clusters with enhanced kinetic and thermodynamic stability are identified by studying their hardness, second order energy difference and adiabatic spin excitation energy. CrSr 9 and MnSr 10 are found to have enhanced stability. They retain their structural identities in assemblies, and are classified as magnetic superatoms. A qualitative understanding of the magnetic coupling between two cluster units is arrived at. Reactivity of these superatoms with O 2 molecule is also studied. Prospects for using these magnetic superatoms in applications are discussed

  16. Effect of the hydrostatic pressure on the electron mobility in delta-doped systems

    Energy Technology Data Exchange (ETDEWEB)

    Oubram, O; Mora-Ramos, M E; Gaggero-Sager, L M, E-mail: 1gaggero@uaem.m [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, CP 62209, Cuernavaca, Morelos (Mexico)

    2009-05-01

    The influence of hydrostatic pressure on the electron states and low-temperature mobility in n-type GaAs delta-doped single quantum wells is studied. Values of hydrostatic pressure consider are below the so-called GAMMA-X crossover, keeping all attention in the electronic properties at the Brillouin zone center. The effect of the pressure on the electron mobility is described via a relative quantity that is proportional to the ratio between P not = 0 and zero pressure results. Calculation is performed using an analytical description of the potential energy function profile, based on the Thomas-Fermi approach, taking explicitly into account the dependence upon P of the main input parameters: effective masses and dielectric constant. The relative mobility increases for higher values of P. The cases of zero and finite -although small- temperature are studied, showing that the influence of T is mainly to lower the values of the relative mobility in the entire range of P considered. Numerical results are reported for a two-dimensional density of ionized impurities equals to 7.5 x 10{sup 12} cm{sup -2}.

  17. Microstructural and electrical changes in nickel manganite powder induced by mechanical activation

    International Nuclear Information System (INIS)

    Savic, S.M.; Mancic, L.; Vojisavljevic, K.; Stojanovic, G.; Brankovic, Z.; Aleksic, O.S.; Brankovic, G.

    2011-01-01

    Highlights: → The influence of mechanical activation on microstructure evolution in the nickel manganite powder was investigated as well as electrical properties of the sintered samples. → Structural refinement obtained by Topas-Academic software based on Rietveld analysis showed that the milling process remarkably changed the powder morphology and microstructure. → SEM studies of sintered samples also revealed the strong influence of milling time on ceramics density (increases with milling time). → The electrical properties of ceramic samples are clearly conditioned by terms of synthesis, in our case the time of mechanical activation. → The highest density and higher values of dielectric constant were achieved at the sample activated for 45 min. -- Abstract: Nickel manganite powder synthesized by calcination of a stoichiometric mixture of manganese and nickel oxide was additionally mechanically activated in a high energy planetary ball mill for 5-60 min in order to obtain a pure NiMn 2 O 4 phase. The as-prepared powders were uniaxially pressed into disc shape pellets and then sintered for 60 min at 1200 o C. Changes in the particle morphology induced by mechanical activation were monitored using scanning electron microscopy, while changes in powder structural characteristics were followed using X-ray powder diffraction. The ac impedance spectroscopy was performed on sintered nickel manganite samples at 25 o C, 50 o C and 80 o C. It was shown that mechanical activation intensifies transport processes causing a decrease in the average crystallites size, while longer activation times can lead to the formation of aggregates, defects and increase of lattice microstrains. The observed changes in microstructures were correlated with measured electrical properties in order to define optimal processing conditions.

  18. Microstructural and electrical changes in nickel manganite powder induced by mechanical activation

    Energy Technology Data Exchange (ETDEWEB)

    Savic, S.M., E-mail: slavicas@cms.bg.ac.rs [Institute for Multidisciplinary Research-University of Belgrade, Kneza Viseslava 1a, 11030 Belgrade (Serbia); Mancic, L. [Institute of Technical Sciences SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia); Vojisavljevic, K. [Institute for Multidisciplinary Research-University of Belgrade, Kneza Viseslava 1a, 11030 Belgrade (Serbia); Stojanovic, G. [Faculty of Technical Sciences University of Novi Sad, Trg Dositeja Obradovica 6, 21000 Novi Sad (Serbia); Brankovic, Z.; Aleksic, O.S.; Brankovic, G. [Institute for Multidisciplinary Research-University of Belgrade, Kneza Viseslava 1a, 11030 Belgrade (Serbia)

    2011-07-15

    Highlights: {yields} The influence of mechanical activation on microstructure evolution in the nickel manganite powder was investigated as well as electrical properties of the sintered samples. {yields} Structural refinement obtained by Topas-Academic software based on Rietveld analysis showed that the milling process remarkably changed the powder morphology and microstructure. {yields} SEM studies of sintered samples also revealed the strong influence of milling time on ceramics density (increases with milling time). {yields} The electrical properties of ceramic samples are clearly conditioned by terms of synthesis, in our case the time of mechanical activation. {yields} The highest density and higher values of dielectric constant were achieved at the sample activated for 45 min. -- Abstract: Nickel manganite powder synthesized by calcination of a stoichiometric mixture of manganese and nickel oxide was additionally mechanically activated in a high energy planetary ball mill for 5-60 min in order to obtain a pure NiMn{sub 2}O{sub 4} phase. The as-prepared powders were uniaxially pressed into disc shape pellets and then sintered for 60 min at 1200 {sup o}C. Changes in the particle morphology induced by mechanical activation were monitored using scanning electron microscopy, while changes in powder structural characteristics were followed using X-ray powder diffraction. The ac impedance spectroscopy was performed on sintered nickel manganite samples at 25 {sup o}C, 50 {sup o}C and 80 {sup o}C. It was shown that mechanical activation intensifies transport processes causing a decrease in the average crystallites size, while longer activation times can lead to the formation of aggregates, defects and increase of lattice microstrains. The observed changes in microstructures were correlated with measured electrical properties in order to define optimal processing conditions.

  19. Inhomogeneity in the spin channel of ferromagnetic CMR manganites

    Energy Technology Data Exchange (ETDEWEB)

    Heffner, R.H.; Sonier, J.E.; MacLaughlin, D.E.; Nieuwenhuys, G.J.; Mezei, F.; Ehlers, G.; Mitchell, J.F.; Cheong, S.-W

    2003-02-01

    Colossal magnetoresistance manganites are archetypes in which to study the strong coupling between spin, charge and lattice degrees of freedom in materials. We present muon spin-lattice relaxation data in ferromagnetic (FM) ground state materials from the manganite series La{sub 1-x}Ca{sub x}MnO{sub 3} and La{sub 1-x-y}Pr{sub y}Ca{sub x}MnO{sub 3}. These measurements reveal several characteristic relaxation modes arising from the strong spin-charge-lattice interactions. We also present results from neutron-spin-echo spectroscopy, which directly measures the spin-spin correlation function in a time domain comparable to {mu}SR. A qualitative model for the FM transition in the manganites involving microscopic phase separation is suggested by these data.

  20. Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n -doped anatase TiO2

    Science.gov (United States)

    Caruso, Fabio; Verdi, Carla; Poncé, Samuel; Giustino, Feliciano

    2018-04-01

    We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly doped semiconductors and oxides. Through the evaluation of the electron self-energy, we account simultaneously for electron-plasmon and electron-phonon coupling in theoretical calculations of angle-resolved photoemission spectra, electron linewidths, and relaxation times. We apply this methodology to electron-doped anatase TiO2 as an illustrative example. The simulated spectra indicate that electron-plasmon coupling in TiO2 underpins the formation of satellites at energies comparable to those of polaronic spectral features. At variance with phonons, however, the energy of plasmons and their spectral fingerprints depends strongly on the carrier concentration, revealing a complex interplay between plasmon and phonon satellites. The electron-plasmon interaction accounts for approximately 40% of the total electron-boson interaction strength, and it is key to improve the agreement with measured quasiparticle spectra.

  1. Magnetic after-effect in manganite films

    Energy Technology Data Exchange (ETDEWEB)

    Sirena, M. E-mail: sirenam@ib.cnea.gov.ar; Steren, L.B.; Guimpel, J

    2001-05-01

    The time dependence of the magnetic and transport properties on La{sub 0.6}Sr{sub 0.4}MnO{sub 3} films and bulk samples has been studied through magnetization and resistivity measurements. A magnetic after-effect has been observed in all samples. At low temperatures, the low-field magnetization, can be described by the function M(t)=M{sub c}+M{sub d} exp(-t/{tau})+S(H,T)ln(t). The resistivity increases logarithmically in the same temperature range, indicating the evolution of the sample to a more disordered state. Above a characteristic temperature, this behaviour is reversed and an increase of the magnetization with time is observed. The relaxation parameters depend on the bulk or films character of the samples. In the latter case, a dependence on the film thickness was found. A direct correlation between the time dependence of the resistivity and magnetization curves in manganite compounds was found.

  2. Seed layer technique for high quality epitaxial manganite films

    Directory of Open Access Journals (Sweden)

    P. Graziosi

    2016-08-01

    Full Text Available We introduce an innovative approach to the simultaneous control of growth mode and magnetotransport properties of manganite thin films, based on an easy-to-implement film/substrate interface engineering. The deposition of a manganite seed layer and the optimization of the substrate temperature allows a persistent bi-dimensional epitaxy and robust ferromagnetic properties at the same time. Structural measurements confirm that in such interface-engineered films, the optimal properties are related to improved epitaxy. A new growth scenario is envisaged, compatible with a shift from heteroepitaxy towards pseudo-homoepitaxy. Relevant growth parameters such as formation energy, roughening temperature, strain profile and chemical states are derived.

  3. Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB2 superconductor nanomaterials

    International Nuclear Information System (INIS)

    Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan; Acar, Selcuk; Kokal, Ilkin; Häßler, Wolfgang

    2015-01-01

    Undoped and carbon-doped magnesium diboride (MgB 2 ) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB 2 samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp 3 -hybridized carbon radicals were detected. A strong reduction in the critical temperature T c was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra

  4. Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB{sub 2} superconductor nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Bateni, Ali; Somer, Mehmet, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr [Department of Chemistry, Koc University, RumelifeneriYolu, Sariyer, Istanbul (Turkey); Erdem, Emre, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr; Repp, Sergej; Weber, Stefan [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, 79104 Freiburg (Germany); Acar, Selcuk; Kokal, Ilkin [Pavezyum Kimya Sanayi Dış Ticaret LTD. ŞTI., Tuzla, Istanbul (Turkey); Häßler, Wolfgang [Leibniz Institute for Solid State and Materials Research Dresden (IFW), P.O. Box 270116, 01171 Dresden (Germany)

    2015-04-21

    Undoped and carbon-doped magnesium diboride (MgB{sub 2}) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB{sub 2} samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp{sup 3}-hybridized carbon radicals were detected. A strong reduction in the critical temperature T{sub c} was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra.

  5. Linear temperature behavior of thermopower and strong electron-electron scattering in thick F-doped SnO2 films

    Science.gov (United States)

    Lang, Wen-Jing; Li, Zhi-Qing

    2014-07-01

    Both the semi-classical and quantum transport properties of F-doped SnO2 thick films (˜1 μm) were investigated experimentally. We found that the resistivity caused by the thermal phonons obeys Bloch-Grüneisen law from ˜90 to 300 K, while only the diffusive thermopower, which varies linearly with temperature from 300 down to 10 K, can be observed. The phonon-drag thermopower is completely suppressed due to the long electron-phonon relaxation time in the compound. These observations, together with the fact that the carrier concentration has negligible temperature dependence, indicate that the conduction electrons in F-doped SnO2 films possess free-electron-like characteristics. At low temperatures, the electron-electron scattering dominates over the electron-phonon scattering and governs the inelastic scattering process. The theoretical predications of scattering rates of large- and small-energy-transfer electron-electron scattering processes, which are negligibly weak in three-dimensional disordered conventional conductors, are quantitatively tested in this lower carrier concentration and free-electron-like highly degenerate semiconductor.

  6. Linear temperature behavior of thermopower and strong electron-electron scattering in thick F-doped SnO2 films

    International Nuclear Information System (INIS)

    Lang, Wen-Jing; Li, Zhi-Qing

    2014-01-01

    Both the semi-classical and quantum transport properties of F-doped SnO 2 thick films (∼1 μm) were investigated experimentally. We found that the resistivity caused by the thermal phonons obeys Bloch-Grüneisen law from ∼90 to 300 K, while only the diffusive thermopower, which varies linearly with temperature from 300 down to 10 K, can be observed. The phonon-drag thermopower is completely suppressed due to the long electron-phonon relaxation time in the compound. These observations, together with the fact that the carrier concentration has negligible temperature dependence, indicate that the conduction electrons in F-doped SnO 2 films possess free-electron-like characteristics. At low temperatures, the electron-electron scattering dominates over the electron-phonon scattering and governs the inelastic scattering process. The theoretical predications of scattering rates of large- and small-energy-transfer electron-electron scattering processes, which are negligibly weak in three-dimensional disordered conventional conductors, are quantitatively tested in this lower carrier concentration and free-electron-like highly degenerate semiconductor.

  7. Chemical potential pinning due to equilibrium electron transfer at metal/C{sub 60}-doped polymer interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Heller, C.M.; Campbell, I.H.; Smith, D.L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Barashkov, N.N.; Ferraris, J.P. [The University of Texas at Dallas, Richardson, Texas 75080 (United States)

    1997-04-01

    We report electroabsorption measurements of the built-in electrostatic potential in metal/C{sub 60}-doped polymer/metal structures to investigate chemical potential pinning due to equilibrium electron transfer from a metal contact to the electron acceptor energy level of C{sub 60} molecules in the polymer film. The built-in potentials of a series of structures employing thin films of both undoped and C{sub 60}-doped poly[2-methoxy, 5-(2{sup {prime}}-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were measured. For undoped MEH-PPV, which has an energy gap of about 2.4 eV, the maximum built-in potential is about 2.1 eV, whereas for C{sub 60}-doped MEH-PPV the maximum built-in potential decreases to 1.5 eV. Electron transfer to the C{sub 60} molecules close to the metal interface pins the chemical potential of the metal contact near the electron acceptor energy level of C{sub 60} and decreases the built-in potential of the structure. From the systematic dependence of the built-in potential on the metal work function we find that the electron acceptor energy level of C{sub 60} in MEH-PPV is about 1.7 eV above the hole polaron energy level of MEH-PPV. {copyright} {ital 1997 American Institute of Physics.}

  8. Free volume modifications in chalcone chromophore doped PMMA films by electron irradiation: Positron annihilation study

    Science.gov (United States)

    Ismayil; Ravindrachary, V.; Praveena, S. D.; Mahesha, M. G.

    2018-03-01

    The free volume related fluorescence behaviour in electron beam irradiated chalcone chromophore doped Poly(methyl methacrylate) (PMMA) composite films have been studied using FTIR, UV-Visible, XRD and Positron Annihilation techniques. From the FTIR spectral study it is found that the formation of polarons and bipolaron takes place due to cross linking as well as chain scission processes at lower and higher doses respectively. It reveals that the formation of various polaronic defect levels upon irradiation is responsible for the creation of three optical energy band gaps within the polymer films as obtained from UV-Visible spectra. The crosslinking process at lower doses increases the distance between the pendant groups to reduce the interchain distance and chain scission process at higher doses decreases interchain separation to enhance the number of polarons in the polymer composites as suggested by XRD studies. The fluorescence studies show the enhancement of fluorescence emission at lower doses and reduction at higher doses under electron irradiation. The positron annihilation study suggests that the low radiation doses induce crosslinking which affect the free volume properties and in turn hinders the chalcone molecular rotation within the polymer composite. At higher doses chain scission process support polymer matrix relaxation and facilitates non-radiative transition of the chromophore upon excitation. This study shows that fluorescence enhancement and mobility of chromophore within the polymer matrix is directly related to the free volume around it.

  9. Carbon doped PDMS: conductance stability over time and implications for additive manufacturing of stretchable electronics

    International Nuclear Information System (INIS)

    Tavakoli, Mahmoud; Rocha, Rui; Osorio, Luis; Almeida, Miguel; De Almeida, Anibal; Ramachandran, Vivek; Tabatabai, Arya; Lu, Tong; Majidi, Carmel

    2017-01-01

    Carbon doped PDMS (cPDMS), has been used as a conductive polymer for stretchable electronics. Compared to liquid metals, cPDMS is low cost and is easier to process or to print with an additive manufacturing process. However, changes on the conductance of the carbon based conductive PDMS (cPDMS) were observed over time, in particular after integration of cPDMS and the insulating polymer. In this article we investigate the process parameters that lead to improved stability over conductance of the cPDMS over time. Slight modifications to the fabrication process parameters were conducted and changes on the conductance of the samples for each method were monitored. Results suggested that change of the conductance happens mostly after integration of a pre-polymer over a cured cPDMS, and not after integration of the cPDMS over a cured insulating polymer. We show that such changes can be eliminated by adjusting the integration priority between the conductive and insulating polymers, by selecting the right curing temperature, changing the concentration of the carbon particles and the thickness of the conductive traces, and when possible by changing the insulating polymer material. In this way, we obtained important conclusions regarding the effect of these parameters on the change of the conductance over time, that should be considered for additive manufacturing of soft electronics. Also, we show that these changes can be possibly due to the diffusion from PDMS into cPDMS. (paper)

  10. Optical basicity and electronic polarizability of zinc borotellurite glass doped La3+ ions

    Directory of Open Access Journals (Sweden)

    M.K. Halimah

    Full Text Available Zinc borotellurite glasses doped with lanthanum oxide were successfully prepared through melt-quenching technique. The amorphous nature of the glass system was validated by the presence of a broad hump in the XRD result. The refractive index of the prepared glass samples was calculated by using the equation proposed by Dimitrov and Sakka. The theoretical value of molar refraction, electronic polarizability, oxide ion polarizability and metallization criterion were calculated by using Lorentz-Lorenz equation. Meanwhile, expression proposed by Duffy and Ingram for the theoretical value of optical basicity of multi-component glasses were applied to obtain energy band gap based optical basicity and refractive index based optical basicity. The optical basicity of prepared glasses decreased with the increasing concentration of lanthanum oxide. Metallization criterion on the basis of refractive index showed an increasing trend while energy band gap based metallization criterion showed a decreasing trend. The small metallization criterion values of the glass samples represent that the width of the conduction band becomes larger which increase the tendency for metallization of the glasses. The results obtained indicates that the fabricated glasses have high potential to be applied on optical limiting devices in photonic field. Keywords: Borotellurite glasses, Refractive index, Electronic polarizability, Oxide ion polarizability, Optical basicity, Metallization criterion

  11. Electronic Properties of a 1D Intrinsic/p-Doped Heterojunction in a 2D Transition Metal Dichalcogenide Semiconductor

    KAUST Repository

    Song, Zhibo; Schultz, Thorsten; Ding, Zijing; Lei, Bo; Han, Cheng; Amsalem, Patrick; Lin, Tingting; Chi, Dongzhi; Wong, Swee Liang; Zheng, Yu Jie; Li, Ming-yang; Li, Lain-Jong; Chen, Wei; Koch, Norbert; Huang, Yu Li; Wee, Andrew Thye Shen

    2017-01-01

    Two-dimensional (2D) semiconductors offer a convenient platform to study 2D physics, for example, to understand doping in an atomically thin semiconductor. Here, we demonstrate the fabrication and unravel the electronic properties of a lateral doped/intrinsic heterojunction in a single-layer (SL) tungsten diselenide (WSe2), a prototype semiconducting transition metal dichalcogenide (TMD), partially covered with a molecular acceptor layer, on a graphite substrate. With combined experiments and theoretical modeling, we reveal the fundamental acceptor-induced p-doping mechanism for SL-WSe2. At the 1D border between the doped and undoped SL-WSe2 regions, we observe band bending and explain it by Thomas-Fermi screening. Using atomically resolved scanning tunneling microscopy and spectroscopy, the screening length is determined to be in the few nanometer range, and we assess the carrier density of intrinsic SL-WSe2. These findings are of fundamental and technological importance for understanding and employing surface doping, for example, in designing lateral organic TMD heterostructures for future devices.

  12. Electronic Properties of a 1D Intrinsic/p-Doped Heterojunction in a 2D Transition Metal Dichalcogenide Semiconductor

    KAUST Repository

    Song, Zhibo

    2017-07-28

    Two-dimensional (2D) semiconductors offer a convenient platform to study 2D physics, for example, to understand doping in an atomically thin semiconductor. Here, we demonstrate the fabrication and unravel the electronic properties of a lateral doped/intrinsic heterojunction in a single-layer (SL) tungsten diselenide (WSe2), a prototype semiconducting transition metal dichalcogenide (TMD), partially covered with a molecular acceptor layer, on a graphite substrate. With combined experiments and theoretical modeling, we reveal the fundamental acceptor-induced p-doping mechanism for SL-WSe2. At the 1D border between the doped and undoped SL-WSe2 regions, we observe band bending and explain it by Thomas-Fermi screening. Using atomically resolved scanning tunneling microscopy and spectroscopy, the screening length is determined to be in the few nanometer range, and we assess the carrier density of intrinsic SL-WSe2. These findings are of fundamental and technological importance for understanding and employing surface doping, for example, in designing lateral organic TMD heterostructures for future devices.

  13. Disorder-driven metal-insulator-transition assisted by interband Coulomb repulsion in a surface transfer doped electron system

    Science.gov (United States)

    Francisco Sánchez-Royo, Juan

    2012-12-01

    The two-dimensional conducting properties of the Si(111) \\sqrt {3} \\times \\sqrt {3} surface doped by the charge surface transfer mechanism have been calculated in the frame of a semiclassical Drude-Boltzmann model considering donor scattering mechanisms. To perform these calculations, the required values of the carrier effective mass were extracted from reported angle-resolved photoemission results. The calculated doping dependence of the surface conductance reproduces experimental results reported and reveals an intricate metallization process driven by disorder and assisted by interband interactions. The system should behave as an insulator even at relatively low doping due to disorder. However, when doping increases, the system achieves to attenuate the inherent localization effects introduced by disorder and to conduct by percolation. The mechanism found by the system to conduct appears to be connected with the increasing of the carrier effective mass observed with doping, which seems to be caused by interband interactions involving the conducting band and deeper ones. This mass enhancement reduces the donor Bohr radius and, consequently, promotes the screening ability of the donor potential by the electron gas.

  14. Inverted Organic Solar Cells with Low-Temperature Al-Doped-ZnO Electron Transport Layer Processed from Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Qianni Zhang

    2018-01-01

    Full Text Available The aqueous-based Zn-ammine complex solutions represent one of the most promising routes to obtain the ZnO electron transport layer (ETL at a low temperature in inverted organic solar cells (OSCs. However, to dope the ZnO film processed from the Zn-ammine complex solutions is difficult since the introduction of metal ions into the Zn-ammine complex is a nontrivial process as ammonium hydroxide tends to precipitate metal salts due to acid-base neutralization reactions. In this paper, we investigate the inverted OSCs with Al-doped-ZnO ETL made by immersion of metallic Al into the Zn-ammine precursor solution. The effects of ZnO layer with different immersion time of Al on film properties and solar cell performance have been studied. The results show that, with the Al-doped-ZnO ETL, an improvement of the device performance could be obtained compared with the device with the un-doped ZnO ETL. The improved device performance is attributed to the enhancement of charge carrier mobility leading to a decreased charge carrier recombination and improved charge collection efficiency. The fabricated thin film transistors with the same ZnO or AZO films confirm the improved electrical characteristics of the Al doped ZnO film.

  15. Effect of Ca-Doping on the Structure and Morphology of Polycrystalline La0.7(Ba1-xCax)0.3MnO3 (x = 0; 0.03; and 0.05)

    International Nuclear Information System (INIS)

    Winarsih, S; Kurniawan, B; Manaf, A; Saptari, S A; Nanto, D

    2016-01-01

    In this paper, we report structure and morphology of polycrystalline La 0.7 (Ba 1-x Ca x ) 0.3 MnO 3 (x = 0; 0.03; 0.05). Basically, these materials are perovskite manganites type with the general structure AMnO 3 (A= trivalent rare earth with divalent ion-doped) which have been extensively studied due to their interesting physical properties. It was known that the electron transport in this material influenced by ion doped at A site. Doping with different divalent ions should cause the lattice distortion. Hence, double exchange interaction is enhanced. In this study, we prepared our sample through the sol-gel method. It is show that the method has resulted in powder materials with ultra-fine particle size. The effect of Ca +2 and Ba +2 doping on the structure did not make any phase changing, but the lattice parameter of La 0.7 (Ba 1-x Ca x ) 0.3 MnO 3 decreased below × = 0.03. Microstructure observed by scanning electron microscope to the sintered samples indicated that the microstructure is homogeneous with fine size of equiaxed grain morphology. Microanalysis by EDS confirmed there is no significant different between designated composition and measured one. It is concluded that effect of Ca+ 2 and Ba+ 2 doped in LaMnO 3 has resulted in microstructural and lattice parameter changes. The doped materials are remaining single phase. (paper)

  16. Universal doping evolution of the superconducting gap anisotropy in single crystals of electron-doped Ba(Fe1‑x Rh x )2As2 from London penetration depth measurements

    Science.gov (United States)

    Kim, Hyunsoo; Tanatar, M. A.; Martin, C.; Blomberg, E. C.; Ni, Ni; Bud’ko, S. L.; Canfield, P. C.; Prozorov, R.

    2018-06-01

    Doping evolution of the superconducting gap anisotropy was studied in single crystals of 4d-electron doped Ba(Fe1‑x Rh x )2As2 using tunnel diode resonator measurements of the temperature variation of the London penetration depth . Single crystals with doping levels representative of an underdoped regime x  =  0.039 ( K), close to optimal doping x  =  0.057 ( K) and overdoped x  =  0.079 ( K) and x  =  0.131( K) were studied. Superconducting energy gap anisotropy was characterized by the exponent, n, by fitting the data to the power-law, . The exponent n varies non-monotonically with x, increasing to a maximum n  =  2.5 for x  =  0.079 and rapidly decreasing towards overdoped compositions to 1.6 for x  =  0.131. This behavior is qualitatively similar to the doping evolution of the superconducting gap anisotropy in other iron pnictides, including hole-doped (Ba,K)Fe2As2 and 3d-electron-doped Ba(Fe,Co)2As2 superconductors, finding a full gap near optimal doping and strong anisotropy toward the ends of the superconducting dome in the T-x phase diagram. The normalized superfluid density in an optimally Rh-doped sample is almost identical to the temperature-dependence in the optimally doped Ba(Fe,Co)2As2 samples. Our study supports the universal superconducting gap variation with doping and pairing at least in iron based superconductors of the BaFe2As2 family.

  17. Microstructures, surface properties, and topotactic transitions of manganite nanorods.

    Science.gov (United States)

    Gao, Tao; Krumeich, Frank; Nesper, Reinhard; Fjellvåg, Helmer; Norby, Poul

    2009-07-06

    Manganite (gamma-MnOOH) nanorods with typical diameters of 20-500 nm and lengths of several micrometers were prepared by reacting KMnO(4) and ethanol under hydrothermal conditions. Synchrotron X-ray diffraction (XRD) reveal that the gamma-MnOOH nanorods crystallize in the monoclinic space group P2(1)/c with unit cell dimensions a = 5.2983(3) A, b = 5.2782(2) A, c = 5.3067(3) A, and beta = 114.401(2) degrees . Transmission electron microscopy shows that the gamma-MnOOH nanorods are single crystalline and that lateral attachment occurs for primary rods elongated along 101. X-ray photoelectron spectroscopy studies indicate that the surfaces of the gamma-MnOOH nanorods are hydrogen deficient and compensated by surface complexation. The Raman scattering spectrum features five main contributions at 360, 389, 530, 558, and 623 cm(-1) along with four weak ones at 266, 453, 492, and 734 cm(-1), attributed to Mn-O vibrations within MnO(6) octahedral frameworks. The structural stability of the gamma-MnOOH nanorods was discussed by means of in situ time-resolved synchrotron XRD. The monoclinic gamma-MnOOH nanorods transform into tetragonal beta-MnO(2) upon heating in air at about 200 degrees C. The reaction is topotactic and shows distinctive differences from those seen for bulk counterparts. A metastable, intermediate phase is observed, possibly connected with hydrogen release via the interstitial (1 x 1) tunnels of the gamma-MnOOH nanorods.

  18. Electron-spin dynamics in Mn-doped GaAs using time-resolved magneto-optical techniques

    Science.gov (United States)

    Akimov, I. A.; Dzhioev, R. I.; Korenev, V. L.; Kusrayev, Yu. G.; Zhukov, E. A.; Yakovlev, D. R.; Bayer, M.

    2009-08-01

    We study the electron-spin dynamics in p -type GaAs doped with magnetic Mn acceptors by means of time-resolved pump-probe and photoluminescence techniques. Measurements in transverse magnetic fields show a long spin-relaxation time of 20 ns that can be uniquely related to electrons. Application of weak longitudinal magnetic fields above 100 mT extends the spin-relaxation times up to microseconds which is explained by suppression of the Bir-Aronov-Pikus spin relaxation for the electron on the Mn acceptor.

  19. Electronic structures and optical properties of GaN nanotubes with MgGa–ON co-doping

    International Nuclear Information System (INIS)

    Yang, Mao; Shi, Jun-jie; Zhang, Min; Zhang, Shuai; Bao, Zhi-qiang; Luo, Shao-jun; Zhou, Tie-Cheng; Zhu, Tian-cong; Li, Xiang; Li, Jia

    2013-01-01

    Both the electronic structures and the optical properties of single-walled zigzag GaN nanotubes (NTs) with Mg Ga –O N co-doping are investigated using first-principles calculations. We find that the Mg Ga –O N defect complex can exist stably in GaN NTs. The direct band gap width of the GaN NTs can be reduced by means of the Mg Ga –O N co-doping. The electrons of the valence band maximum (VBM) state are localized around the N atoms bonded with the Mg atom. The imaginary part ε 2 of the complex dielectric function of GaN NTs with Mg Ga –O N co-doping has a sharp peak closely related to the optical transitions between the VBM and conduction band minimum states. - Highlights: ► The Mg Ga –O N defect complex can exist stably in GaN NTs. ► The band gap of the GaN NTs can be reduced due to the Mg Ga –O N co-doping. ► The VBM states are localized around the N atoms bonded with the Mg atom. ► The ε 2 -plot has a peak related to the optical transition from the VBM to CBM state

  20. Effects of B site doping on electronic structures of InNbO4 based on hybrid density functional calculations

    Science.gov (United States)

    Lu, M. F.; Zhou, C. P.; Li, Q. Q.; Zhang, C. L.; Shi, H. F.

    2018-01-01

    In order to improve the photocatalytic activity under visible-light irradiation, we adopted first principle calculations based on density functional theory (DFT) to calculate the electronic structures of B site transition metal element doped InNbO4. The results indicated that the complete hybridization of Nb 4d states and some Ti 3d states contributed to the new conduction band of Ti doped InNbO4, barely changing the position of band edge. For Cr doping, some localized Cr 3d states were introduced into the band gap. Nonetheless, the potential of localized levels was too positive to cause visible-light reaction. When it came to Cu doping, the band gap was almost same with that of InNbO4 as well as some localized Cu 3d states appeared above the top of VB. The introduction of localized energy levels benefited electrons to migrate from valence band (VB) to conduction band (CB) by absorbing lower energy photons, realizing visible-light response.

  1. Systematics of electronic and magnetic properties in the transition metal doped Sb2Te3 quantum anomalous Hall platform

    Science.gov (United States)

    Islam, M. F.; Canali, C. M.; Pertsova, A.; Balatsky, A.; Mahatha, S. K.; Carbone, C.; Barla, A.; Kokh, K. A.; Tereshchenko, O. E.; Jiménez, E.; Brookes, N. B.; Gargiani, P.; Valvidares, M.; Schatz, S.; Peixoto, T. R. F.; Bentmann, H.; Reinert, F.; Jung, J.; Bathon, T.; Fauth, K.; Bode, M.; Sessi, P.

    2018-04-01

    The quantum anomalous Hall effect (QAHE) has recently been reported to emerge in magnetically doped topological insulators. Although its general phenomenology is well established, the microscopic origin is far from being properly understood and controlled. Here, we report on a detailed and systematic investigation of transition metal (TM) doped Sb2Te3 . By combining density functional theory calculations with complementary experimental techniques, i.e., scanning tunneling microscopy, resonant photoemission, and x-ray magnetic circular dichroism, we provide a complete spectroscopic characterization of both electronic and magnetic properties. Our results reveal that the TM dopants not only affect the magnetic state of the host material, but also significantly alter the electronic structure by generating impurity-derived energy bands. Our findings demonstrate the existence of a delicate interplay between electronic and magnetic properties in TM doped topological insulators. In particular, we find that the fate of the topological surface states critically depends on the specific character of the TM impurity: while V- and Fe-doped Sb2Te3 display resonant impurity states in the vicinity of the Dirac point, Cr and Mn impurities leave the energy gap unaffected. The single-ion magnetic anisotropy energy and easy axis, which control the magnetic gap opening and its stability, are also found to be strongly TM impurity dependent and can vary from in plane to out of plane depending on the impurity and its distance from the surface. Overall, our results provide general guidelines for the realization of a robust QAHE in TM doped Sb2Te3 in the ferromagnetic state.

  2. Accuracy and Transferability of Ab Initio Electronic Band Structure Calculations for Doped BiFeO3

    Science.gov (United States)

    Gebhardt, Julian; Rappe, Andrew M.

    2017-11-01

    BiFeO3 is a multiferroic material and, therefore, highly interesting with respect to future oxide electronics. In order to realize such devices, pn junctions need to be fabricated, which are currently impeded by the lack of successful p-type doping in this material. In order to guide the numerous research efforts in this field, we recently finished a comprehensive computational study, investigating the influence of many dopants onto the electronic structure of BiFeO3. In order to allow for this large scale ab initio study, the computational setup had to be accurate and efficient. Here we discuss the details of this assessment, showing that standard density-functional theory (DFT) yields good structural properties. The obtained electronic structure, however, suffers from well-known shortcomings. By comparing the conventional DFT results for alkali and alkaline-earth metal doping with more accurate hybrid-DFT calculations, we show that, in this case, the problems of standard DFT go beyond a simple systematic error. Conventional DFT shows bad transferability and the more reliable hybrid-DFT has to be chosen for a qualitatively correct prediction of doping induced changes in the electronic structure of BiFeO3.

  3. First principles study of electronic and structural properties of single walled zigzag boron nitride nanotubes doped with the elements of group IV

    Science.gov (United States)

    Bahari, Ali; jalalinejad, Amir; Bagheri, Mosahhar; Amiri, Masoud

    2017-11-01

    In this paper, structural and electronic properties and stability of (10, 0) born nitride nanotube (BNNT) are considered within density functional theory by doping group IV elements of the periodic table. The HOMO-LUMO gap has been strongly modified and treated a dual manner by choosing B or N sites for dopant atoms. Formation energy calculation shows that B site doping is more stable than N site doping. Results also show that all dopants turn the pristine BNNT into a p-type semiconductor except for carbon-doped BNNT at B site.

  4. Transmission Electron Microscopy Studies on Titanium-doped Sodium Aluminum Hydride

    Science.gov (United States)

    Culnane, Lance F.

    Hydrogen fuel cells play an important role in today's diverse and blossoming alternative energy industry. One of the greatest technological barriers for vehicular applications is the storage of hydrogen (which is required to power hydrogen fuel cells). Storing hydrogen as a gas is not volume efficient, and storing it as a liquid is not cost effective, therefore solid-state storage of hydrogen, such as in metal hydrides offers the most potential for success since many metal hydrides have attractive qualities for hydrogen storage such as: high volumetric capacity, cost efficiency, weight efficiency, low refueling times, and most importantly, high safety. Unfortunately, a compound has not been discovered which contains all of the attractive hydrogen storage qualities for vehicular applications. Sodium aluminum hydride (NaAlH 4) is one of the few compounds which is close to meeting requirements for car manufacturers, and has perhaps been researched the most extensively out of all metal hydrides in the last 15 years. This arises from the remarkable discovery by Bogdanovic who found that doping NaAlH4 with Ti dopants enabled the reversible dehydrogenation and hydrogenation of NaAlH 4 at mild conditions. Various evidence and theories have been proposed to suggest explanations for the enhanced kinetic effect that Ti-doping and ball-milling provide. However, the research community has not reached a consensus as to the exact role of Ti-dopants. If the role of titanium in the NaAlH4 dehydrogenation/hydrogenation mechanism could be understood, then more attractive metal hydrides could be designed. To this end, we conducted Transmission Electron Microscopy (TEM) studies to explain the role of the Ti dopants. The first known thorough particle size analysis of the NaAlH4 system was conducted, as well as TEM-EELS (Electron Energy Loss Spectroscopy), TEM-EDS (Energy Dispersive X-ray Spectroscopy), and in-situ imaging studies. Preparation methods were found to be important for the

  5. Manganite/Cuprate Superlattice as Artificial Reentrant Spin Glass

    KAUST Repository

    Ding, Junfeng; Cossu, Fabrizio; Lebedev, Oleg I.; Zhang, Yuqin; Zhang, Zhidong; Schwingenschlö gl, Udo; Wu, Tao

    2016-01-01

    magnetic memory effect discovered in oxide heterostructures composed of ultrathin manganite La0.7Sr0.3MnO3 (LSMO) and cuprate La2CuO4 (LCO) layers. These heterostructures are featured with enhanced ferromagnetism before entering the spin glass state: a

  6. Synthesis, microstructure and EPR of CaMnO{sub 3} and Eu{sub x}Ca{sub 1-x}MnO{sub 3} manganite, obtained by coprecipitation

    Energy Technology Data Exchange (ETDEWEB)

    Santiago T, M.; Hernandez C, L.; Legorreta G, F. [Universidad Autonoma del Estado de Hidalgo, AACTyM, Carretera Pachuca-Tulancingo Km 4.5, 42074 Pachuca, Hidalgo (Mexico); Montiel S, H. [UNAM, Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Departamento de Tecnociencias, Ciudad Universitaria, 04510 Mexico D. F. (Mexico); Alvarez L, G. [IPN, Escuela Superior de Fisica y Matematicas, Departamento de Fisica, U. P. Adolfo Lopez Mateos, Edif. 9, Col. Lindavista, 07738 Mexico D. F. (Mexico); Flores G, M. A., E-mail: mar200878@hotmail.com [Universidad Politecnica de Pachuca, Laboratorio de Nanotecnologia y Bioelectromagnetismo Aplicado, Carretera Pachuca-Cd. Sahagun Km 20, Ex-Hacienda de Santa Barbara, 43830 Zempoala, Hidalgo (Mexico)

    2011-07-01

    The synthesis of CaMnO{sub 3} and Eu{sub x}Ca{sub 1-x}MnO{sub 3} obtained by coprecipitation method is showed. The synthesized samples were characterized by X-ray diffraction and scanning electronic microscopy, the powders showed orthorhombic structure and pnma space group. When it was doped with Europium, their morphology tendency was spherical. Measurements were carried out on electron paramagnetic resonance (EPR) with constant frequency = 9.4 GHz (band X) and dc magnetic field (H dc) 0-0.8 T, measurements were at 300 K and 77 K. EPR spectra showed significant differences between both samples, indicating that the substitution of divalent alkaline earth cations by trivalent rare earth ions, allowing the formation of a mixed valence state of manganese, Mn{sup 3+} and Mn{sup 4+}. A 77 K, the manganite of concentration x = 0.30 had a magnetic ordering, noted by the presence of hysteresis. (Author)

  7. The tight binding model study of the role of anisotropic AFM spin ordering in the charge ordered CMR manganites

    Science.gov (United States)

    Kar, J. K.; Panda, Saswati; Rout, G. C.

    2017-05-01

    We propose here a tight binding model study of the interplay between charge and spin orderings in the CMR manganites taking anisotropic effect due to electron hoppings and spin exchanges. The Hamiltonian consists of the kinetic energies of eg and t2g electrons of manganese ion. It further includes double exchange and Heisenberg interactions. The charge density wave interaction (CDW) describes an extra mechanism for the insulating character of the system. The CDW gap and spin parameters are calculated using Zubarev's Green's function technique and computed self-consistently. The results are reported in this communication.

  8. Exchange Enhancement of the Electron-Phonon Interaction: The Case of Weakly Doped Two-Dimensional Multivalley Semiconductors

    Science.gov (United States)

    Pamuk, Betül; Zoccante, Paolo; Baima, Jacopo; Mauri, Francesco; Calandra, Matteo

    2018-04-01

    The effect of the exchange interaction on the vibrational properties and on the electron-phonon coupling were investigated in several recent works. In most of the cases, exchange tends to enhance the electron-phonon interaction, although the motivations for such behaviour are not completely understood. Here we consider the class of weakly doped two-dimensional multivalley semiconductors and we demonstrate that a more global picture emerges. In particular we show that in these systems, at low enough doping, even a moderate electron-electron interaction enhances the response to any perturbation inducing a valley polarization. If the valley polarization is due to the electron-phonon coupling, the electron-electron interaction results in an enhancement of the superconducting critical temperature. We demonstrate the applicability of the theory by performing random phase approximation and first principles calculations in transition metal chloronitrides. We find that exchange is responsible for the enhancement of the superconducting critical temperature in LixZrNCl and that much larger Tcs could be obtained in intercalated HfNCl if the synthesis of cleaner samples could remove the Anderson insulating state competing with superconductivity.

  9. Effect of chromium concentration on the structural, magnetic and electrical properties of praseodymium-calcium manganite

    Energy Technology Data Exchange (ETDEWEB)

    Bettaibi, A. [Laboratoire de Physique des Matériaux et des Nanomatériaux appliquée à l' Environnement, Faculté des Sciences de Gabès cité Erriadh, Université de Gabès, 6079 Gabès (Tunisia); M' nassri, R., E-mail: rafik_mnassri@yahoo.fr [Higher Institute of Applied Sciences and Technology of Kasserine, Kairouan University, B.P. 471, 1200 Kasserine (Tunisia); Laboratoire de Physico-Chimie des Matériaux, Département de Physique, Faculté des Sciences de Monastir, Université de Monastir, 5019 Monastir (Tunisia); Selmi, A. [Laboratory of Physics of Materials, Faculty of Sciences of Sfax, Sfax University, B.P.1171, 3000 Sfax (Tunisia); Rahmouni, H. [Laboratoire de Physique des Matériaux et des Nanomatériaux appliquée à l' Environnement, Faculté des Sciences de Gabès cité Erriadh, Université de Gabès, 6079 Gabès (Tunisia); Chniba-Boudjada, N. [Institut NEEL, B.P.166, 38042 Grenoble Cedex 09 (France); Faculté des Sciences de Gabès cité Erriadh, Université de Gabès, 6079 Gabès (Tunisia); and others

    2015-11-25

    The influence of Cr doping on magnetic, magnetocaloric and electrical properties in a polycrystalline sample of Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} is investigated. Structural studies show that our samples are single phase. The magnetization shows that the Pr{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Cr{sub x}O{sub 3} ceramics exhibit a paramagnetic–ferromagnetic transition with a large magnetic entropy change. The relative cooling power (RCP) values are comparable to those of other manganite. DC conductance G{sub DC} measurements show that all samples are characterized by a semiconductor behavior. It is found that G{sub DC} decreases by two decades when increasing chromium concentrations. For the parent compound, dc-conductance is characterized by the appearance of a saturation region at a specific temperature (T{sub sat} = 200 K). For the doped compound, T{sub sat} go beyond room temperature. Conduction mechanism is found to be dominated by the small polaron hopping (SPH) process at high temperature and by variable range hopping one (VRH) at low temperature. AC conductance study confirms that the conductivity is governed by hopping process and obeys to the Jonscher universal power law. The exponent ‘n’ variation with temperature is in good agreement with Mott theory. Its variation as a function of chromium content indicates that the material turns from metallic to semi-insulating behavior when chromium composition increases. Impedance analysis proves the presence of electrical relaxation phenomenon in the material and confirms that grain boundaries played a main role in the conduction process. - Highlights: • Pr{sub 0.7}Ca{sub 0.3}Mn{sub 1−x}Cr{sub x}O{sub 3} manganites phases crystallize in an orthorhombic (Pnma) structure. • Pr{sub 0.7}Ca{sub 0.3}Mn{sub 0.95}Cr{sub 0.05}O{sub 3} has the highest relative cooling power. • DC conductivity measurement indicates that samples have a semiconductor character. • Conduction mechanism is well described by hopping

  10. Thermoluminescence response of Ge-, Al- and Nd- doped optical fibers by 6 MeV - electron and 6 MeV - photon irradiations

    International Nuclear Information System (INIS)

    Hossain, I.; Moburak, A. A.; Saeed, M.A.; Wagiran, H.; Hida, N.; Yaakob, H.N.

    2015-01-01

    In this paper, we report the prediction of thermoluminescence responses of Neodymium-doped SiO 2 optical fibre with various dose ranges from 0.5 Gy to 4.0 Gy by 6 MeV - electron irradiations without requirement for experimental measurements. A technique has been developed to calculate prediction of 6 MeV - electron response of Neodymium-doped SiO 2 optical fibre by observing the measured TL response of 6 MV - photon and the ratio of known measured photon/electron yield ratio distribution for Ge-doped, Al-doped optical fibre and standard TLD 100 dosimeter. The samples were kept in gelatin capsule an irradiated with 6 MV - photon at the dose range from 0.5 Gy to 4.0 Gy. Siemens model Primus 3368 linear accelerator located at Hospital Sultan Ismail, Johor Bahru has been used to deliver the photon beam to the samples. We found the average response ratio of 6 MV - photon and 6 MeV - electron in Ge-doped, Al-doped optical fibre and standard TLD-100 dosimeter are 0.83(3). Observing the measured value of 6 MV - photon irradiation this average ratio is useful to find the prediction of thermoluminescence responses by 6 MeV - electron irradiation of Neodymium-doped SiO 2 optical fibre by the requirement for experimental measurements with various dose ranges from 0.5 Gy to 4.0 Gy by 6 MV - photon irradiations.

  11. Electronic structure of Al- and Ga-doped ZnO films studied by hard X-ray photoelectron spectroscopy

    Directory of Open Access Journals (Sweden)

    M. Gabás

    2014-01-01

    Full Text Available Al- and Ga-doped sputtered ZnO films (AZO, GZO are semiconducting and metallic, respectively, despite the same electronic valence structure of the dopants. Using hard X-ray photoelectron spectroscopy we observe that both dopants induce a band in the electronic structure near the Fermi level, accompanied by a narrowing of the Zn 3d/O 2p gap in the valence band and, in the case of GZO, a substantial shift in the Zn 3d. Ga occupies substitutional sites, whereas Al dopants are in both substitutional and interstitial sites. The latter could induce O and Zn defects, which act as acceptors explaining the semiconducting character of AZO and the lack of variation in the optical gap. By contrast, mainly substitutional doping is consistent with the metallic-like behavior of GZO.

  12. Ab-initio study of electronic and magnetic properties of Co-doped Mo2C monolayer

    Science.gov (United States)

    Mehta, Veenu; Tankeshwar, K.; Saini, Hardev S.

    2018-05-01

    The spin polarized density functional theory (DFT) based calculations has been performed to investigate the electronic and magnetic properties of pristine and Co-doped Mo2C using VASP code. The calculated results show that the pristine Mo2C is found to be non-magnetic whereas the Co dopant at Mo-site in the Mo2C monolayer generates the ferromagnetism in the resultant compound. The total magnetic moment of the system has been found to be 1.2µB which increases to 2.03µB as the concentration of Co increase from 3% to 8%, respectively. The electronic structure calculations of the pristine and Co-doped Mo2C show its metallic behavior which may found its application in magnetic energy storage devices, magnetic tape etc.

  13. Photoexcitations in a 1D manganite model: From quasiclassical light absorption to quasiparticle relaxations

    Science.gov (United States)

    Köhler, T.; Schumann, O.; Biebl, F.; Kramer, S.; Kehrein, S.; Manmana, S.; Rajpurohit, S.; Sotoudeh, M.; Blöchl, P.

    We investigate 1D correlated systems following a photoexcitation by combining ab-initio methods, time-dependent matrix product state (MPS) approaches, analytical insights from linearized quantum Boltzmann equations (LBE), and molecular dynamics (MD) simulations to describe the dynamics on different time scales ranging from femto- up to nanoseconds. This is done for manganite systems in the material class Pr1-xCaxMnO3. We derive 1D ab-initio model Hamiltonians for which we compute the ground states at different values of the doping using MD simulations. At half doping, we obtain a magnetic microstructure of alternating dimers from which we derive a 1D Hubbard-type model. The dynamics is analyzed concerning the formation and lifetime of such quasiparticles via a LBE. We find that the magnetic microstructure strongly enhances the lifetime of the excitations. In this way, our work constitutes a first step to building a unifying theoretical framework for the description of photoexcitations in strongly correlated materials over a wide range of time scales, capable of making predictions for ongoing experiments investigating pump-probe situations and unconventional photovoltaics. Financial support from the Deutsche Forschungsgemeinschaft (DFG) through SFB/CRC1073 (Projects B03 and C03) is gratefully acknowledged.

  14. The effect of doping with Zn and Ni on the YBa sub 2 Cu sub 3 O sub 7 electron subsystem

    CERN Document Server

    Stolbov, S V

    1997-01-01

    The electron structure, Stoner parameters, and exchange-enhanced local contributions to the spin susceptibility have been calculated for pure, Zn-doped, and Ni-doped YBa sub 2 Cu sub 3 O sub 7 (YBCO7) within the local density approximation, using a self-consistent T-scattering matrix method. It has been found that the Zn impurity causes a breaking of p-d covalence bonds in its vicinity, and gives rise to an island of reduced spin susceptibility and density of states at the Fermi level. This leads to the destruction of spin fluctuations near the impurity. The influence of Ni doping on the YBCO7 electron subsystem is much smaller than that of Zn doping. On the basis of the present results and the spin-fluctuation model, the effects of Zn and Ni doping on the critical temperature and NMR spectra of YBCO7 have been explained. (author)

  15. Optical and Electrical Properties of Tin-Doped Cadmium Oxide Films Prepared by Electron Beam Technique

    Science.gov (United States)

    Ali, H. M.; Mohamed, H. A.; Wakkad, M. M.; Hasaneen, M. F.

    2009-04-01

    Tin-doped cadmium oxide films were deposited by electron beam evaporation technique. The structural, optical and electrical properties of the films were characterized. The X-ray diffraction (XRD) study reveals that the films are polycrystalline in nature. As composition and structure change due to the dopant ratio and annealing temperature, the carrier concentration was varied around 1020 cm-3, and the mobility increased from less than 10 to 45 cm2 V-1 s-1. A transmittance value of ˜83% and a resistivity value of 4.4 ×10-4 Ω cm were achieved for (CdO)0.88(SnO2)0.12 film annealed at 350 °C for 15 min., whereas the maximum value of transmittance ˜93% and a resistivity value of 2.4 ×10-3 Ω cm were obtained at 350 °C for 30 min. The films exhibited direct band-to-band transitions, which corresponded to optical band gaps of 3.1-3.3 eV.

  16. The electronic properties of phosphorus-doped GaN nanowires from first-principle calculations

    International Nuclear Information System (INIS)

    Fu, Nannan; Li, Enling; Cui, Zhen; Ma, Deming; Wang, Wei; Zhang, Yulong; Song, Sha; Lin, Jie

    2014-01-01

    Highlights: • The P impurities tend to enrich at the surface of GaN nanowires. • The lattice parameters of GaN nanowires are changed by the P impurity. • Donor impurity level appears when the P impurity substitutes for the Ga atom. • The band gap decreases slightly when the P impurity substitutes for the N atom. - Abstract: The electronic properties of phosphorus-doped unsaturated and saturated gallium nitride (GaN) nanowires have been investigated from first-principles using the ultrasoft pseudopotential method. The results of these calculations indicate that the P impurities are enriched at the surface of gallium nitride nanowires, and that the structural symmetry of GaN nanowires is broken due to changes in the lattice parameters. When the P impurity substitutes for the Ga atom, the width of band gap increases at the Γ point, a donor impurity level appears in the band gap, and the P impurity and adjacent N atoms exists covalent interaction. Moreover, when the P impurity substitutes for the N atom, the width of the band gap decreases slightly at the Γ point, there is no obvious impurity level in the band gap, and P–Ga covalent bonds are formed, including those composed of ionic bonds. These conclusions indicate that the incorporation of P impurities can improve the field emission performance of GaN nanowires, which is consistent with the experimental results

  17. Structures, stabilities, and electronic properties for rare-earth lanthanum doped gold clusters

    International Nuclear Information System (INIS)

    Zhao, Ya-Ru

    2015-01-01

    The structures, stabilities, and electronic properties of rare-earth lanthanum doped gold La 2 Au n (n = 1-9) and pure gold Au n (n ≤ 11) clusters have been investigated by using density functional theory. The optimized geometries show that the lowest energy structures of La 2 Au n clusters favour the 3D structure at n ≥ 3. The lanthanum atoms can strongly enhance the stabilities of gold clusters and tend to occupy the most highly coordinated position. By analysing the gap, vertical ionization potential, and chemical hardness, it is found that the La 2 Au 6 isomer possesses higher stability for small-sized La 2 Au n clusters (n = 1-9). The charges in the La 2 Au n clusters transfer from La atoms to the Au n host. In addition, Wiberg bond indices analysis reveals that the intensity of different bonds of La 2 Au n clusters exhibits a sequence of La-La bond > La-Au bond > Au-Au bond.

  18. Electron paramagnetic resonance and optical properties of Cr3+ doped YAl3(BO3)4

    International Nuclear Information System (INIS)

    Wells, Jon-Paul R; Yamaga, Mitsuo; Han, Thomas P J; Honda, Makoto

    2003-01-01

    We report on the electron paramagnetic resonance (EPR) and optical absorption and fluorescence spectroscopy of YAl 3 (BO 3 ) 4 single crystals doped with 0.2 mol% of trivalent chromium. From EPR we determine that the Cr 3+ ions reside in sites of essentially octahedral symmetry with an orthorhombic distortion. The ground state 4 A 2 splitting is determined to be 2√D 2 + 3E 2 ∼ 1.05 ± 0.04 cm -1 , where D and E are fine-structure parameters, and we can attribute this splitting to the combined effect of a low-symmetry distortion and spin-orbit coupling. The g-values and fine-structure parameters D and E of the ground state 4 A 2 are measured to be g x ∼ g y ∼ g z = 1.978 ± 0.005, vertical bar D vertical bar = 0.52 ± 0.02 cm -1 and vertical bar E vertical bar 0.010 ± 0.005 cm -1 respectively. From 10 K optical absorption we have measured the position and crystal-field splittings of the 2 E, 2 T 1 , 4 T 2 , 2 T 2 and 4 T 1 states with the 4 T 2 and 4 T 1 levels appearing as vibronically broadened bands

  19. Modulating indium doped tin oxide electrode properties for laccase electron transfer enhancement

    Energy Technology Data Exchange (ETDEWEB)

    Diaconu, Mirela [National Institute for Biological Sciences, Centre of Bioanalysis, 296 Spl. Independentei, Bucharest 060031 (Romania); Chira, Ana [National Institute for Biological Sciences, Centre of Bioanalysis, 296 Spl. Independentei, Bucharest 060031 (Romania); Politehnica University of Bucharest, Faculty of Applied Chemistry and Materials Science, 1-7 Polizu Str., 011061 (Romania); Radu, Lucian, E-mail: gl_radu@chim.upb.ro [Politehnica University of Bucharest, Faculty of Applied Chemistry and Materials Science, 1-7 Polizu Str., 011061 (Romania)

    2014-08-28

    Indium doped tin oxide (ITO) electrodes were functionalized with gold nanoparticles (GNPs) and cysteamine monolayer to enhance the heterogeneous electron transfer process of laccase from Trametes versicolor. The assembly of GNP on ITO support was performed through generation of H{sup +} species at the electrode surface by hydroquinone electrooxidation at 0.9 V vs Ag/AgCl. Uniform distribution of gold nanoparticle aggregates on electrode surfaces was confirmed by atomic force microscopy. The size of GNP aggregates was in the range of 200–500 nm. The enhanced charge transfer at the GNP functionalized ITO electrodes was observed by cyclic voltammetry (CV) and electrochemical impedance spectroscopy. Electrocatalytic behavior of laccase immobilized on ITO modified electrode toward oxygen reduction reaction was evaluated using CV in the presence of 2,2′-azino-bis 3-ethylbenzothiazoline-6-sulfuric acid (ABTS). The obtained sigmoidal-shaped voltammograms for ABTS reduction in oxygen saturated buffer solution are characteristic for a catalytic process. The intensity of catalytic current increased linearly with mediator concentration up to 6.2 × 10{sup −4} M. The registered voltammogram in the absence of ABTS mediator clearly showed a significant faradaic current which is the evidence of the interfacial oxygen reduction. - Highlights: • Assembly of gold nanoparticles on indium tin oxide support at positive potentials • Electrochemical and morphological evaluation of the gold nanoparticle layer assembly • Bioelectrocatalytic oxygen reduction on laccase modified electrode.

  20. The electronic properties of phosphorus-doped GaN nanowires from first-principle calculations

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Nannan; Li, Enling, E-mail: Lienling@xaut.edu.cn; Cui, Zhen; Ma, Deming; Wang, Wei; Zhang, Yulong; Song, Sha; Lin, Jie

    2014-05-01

    Highlights: • The P impurities tend to enrich at the surface of GaN nanowires. • The lattice parameters of GaN nanowires are changed by the P impurity. • Donor impurity level appears when the P impurity substitutes for the Ga atom. • The band gap decreases slightly when the P impurity substitutes for the N atom. - Abstract: The electronic properties of phosphorus-doped unsaturated and saturated gallium nitride (GaN) nanowires have been investigated from first-principles using the ultrasoft pseudopotential method. The results of these calculations indicate that the P impurities are enriched at the surface of gallium nitride nanowires, and that the structural symmetry of GaN nanowires is broken due to changes in the lattice parameters. When the P impurity substitutes for the Ga atom, the width of band gap increases at the Γ point, a donor impurity level appears in the band gap, and the P impurity and adjacent N atoms exists covalent interaction. Moreover, when the P impurity substitutes for the N atom, the width of the band gap decreases slightly at the Γ point, there is no obvious impurity level in the band gap, and P–Ga covalent bonds are formed, including those composed of ionic bonds. These conclusions indicate that the incorporation of P impurities can improve the field emission performance of GaN nanowires, which is consistent with the experimental results.

  1. Theoretical study of the Raman active CDW gap mode in manganites

    International Nuclear Information System (INIS)

    Rout, G C; Panda, Saswati; Behera, S N

    2010-01-01

    We report here the microscopic theory of the Raman spectra of the colossal magnetoresistive (CMR) manganite systems. The system is described by a model Hamiltonian consisting of the double exchange interaction in addition to the charge ordering interaction in the e g band and spin-spin interaction among the t 2g core electrons. Further the phonon coupling to the conduction electron density is incorporated in the model for phonons in the harmonic approximation. The spectral density function for the Raman spectra is calculated from the imaginary part of the phonon Green's function. The calculated spectra display the Raman active bare phonon peak along with the charge ordering peak. The magnetic field and temperature dependence of the charge ordering peak agrees with the 480 cm -1 JT mode observed in the experiments. The evolution of this mode is investigated in the report.

  2. Effect of strong correlations on the high energy anomaly in hole- and electron-doped high-Tc superconductors

    International Nuclear Information System (INIS)

    Moritz, B; Johnston, S; Greven, M; Shen, Z-X; Devereaux, T P; Schmitt, F; Meevasana, W; Motoyama, E M; Lu, D H; Kim, C; Scalettar, R T

    2009-01-01

    Recently, angle-resolved photoemission spectroscopy (ARPES) has been used to highlight an anomalously large band renormalization at high binding energies in cuprate superconductors: the high energy 'waterfall' or high energy anomaly (HEA). This paper demonstrates, using a combination of new ARPES measurements and quantum Monte Carlo simulations, that the HEA is not simply the by-product of matrix element effects, but rather represents a cross-over from a quasi-particle band at low binding energies near the Fermi level to valence bands at higher binding energy, assumed to be of strong oxygen character, in both hole- and electron-doped cuprates. While photoemission matrix elements clearly play a role in changing the aesthetic appearance of the band dispersion, i.e. the 'waterfall'-like behavior, they provide an inadequate description for the physics that underlies the strong band renormalization giving rise to the HEA. Model calculations of the single-band Hubbard Hamiltonian showcase the role played by correlations in the formation of the HEA and uncover significant differences in the HEA energy scale for hole- and electron-doped cuprates. In addition, this approach properly captures the transfer of spectral weight accompanying both hole and electron doping in a correlated material and provides a unifying description of the HEA across both sides of the cuprate phase diagram.

  3. The electronic structures and ferromagnetism of Fe-doped GaSb: The first-principle calculation study

    Science.gov (United States)

    Lin, Xue-ling; Niu, Cao-ping; Pan, Feng-chun; Chen, Huan-ming; Wang, Xu-ming

    2017-09-01

    The electronic structures and the magnetic properties of Fe doped GaSb have been investigated by the first-principles calculation based on the framework of the generalized gradient approximation (GGA) and GGA+U schemes. The calculated results indicated that Fe atoms tend to form the anti-ferromagnetic (AFM) coupling with the nearest-neighbor positions preferentially. Compared with the anti-ferromagnetic coupling, the ferromagnetic interactions occurred at the second nearest-neighbor and third nearest-neighbor sites have a bigger superiority energetically. The effect of strong electron correlation at Fe-d orbit taking on the magnetic properties predicted by GGA+U approach demonstrated that the ferromagnetic (FM) coupling between the Fe ions is even stronger in consideration of the strong electron correlation effect. The ferromagnetism in Fe doped GaSb system predicted by our investigation implied that the doping of Fe into GaSb can be as a vital routine for manufacturing the FM semiconductors with higher Curie temperature.

  4. Electron transport within transparent assemblies of tin-doped indium oxide colloidal nanocrystals

    Science.gov (United States)

    Grisolia, J.; Decorde, N.; Gauvin, M.; Sangeetha, N. M.; Viallet, B.; Ressier, L.

    2015-08-01

    Stripe-like compact assemblies of tin-doped indium oxide (ITO) colloidal nanocrystals (NCs) are fabricated by stop-and-go convective self-assembly (CSA). Systematic evaluation of the electron transport mechanisms in these systems is carried out by varying the length of carboxylate ligands protecting the NCs: butanoate (C4), octanoate (C8) and oleate (C18). The interparticle edge-to-edge distance L0, along with a number of carbon atoms in the alkyl chain of the coating ligand, are deduced from small-angle x-ray scattering (SAXS) measurements and exhibit a linear relationship with a slope of 0.11 nm per carbon pair unit. Temperature-dependent resistance characteristics are analyzed using several electron transport models: Efros-Shklovskii variable range hopping (ES-VRH), inelastic cotunneling (IC), regular island array and percolation. The analysis indicated that the first two models (ES-VRH and IC) fail to explain the observed behavior, and that only simple activated transport takes place in these systems under the experimental conditions studied (T = 300 K to 77 K). Related transport parameters were then extracted using the regular island array and percolation models. The effective tunneling decay constant βeff of the ligands and the Coulomb charging energy EC are found to be around 5.5 nm-1 and 25 meV, respectively, irrespective of ligand lengths. The theoretical tunneling decay constant β calculated using the percolation model is in the range 9 nm-1. Electromechanical tests on the ITO nanoparticle assemblies indicate that their sensitivities are as high as ˜30 and remain the same regardless of ligand lengths, which is in agreement with the constant effective βeff extracted from regular island array and percolation models.

  5. Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr_{2}IrO_{4}

    Directory of Open Access Journals (Sweden)

    Sen Zhou

    2017-10-01

    Full Text Available Analogs of the high-T_{c} cuprates have been long sought after in transition metal oxides. Because of the strong spin-orbit coupling, the 5d perovskite iridates Sr_{2}IrO_{4} exhibit a low-energy electronic structure remarkably similar to the cuprates. Whether a superconducting state exists as in the cuprates requires understanding the correlated spin-orbit entangled electronic states. Recent experiments discovered hidden order in the parent and electron-doped iridates, some with striking analogies to the cuprates, including Fermi surface pockets, Fermi arcs, and pseudogap. Here, we study the correlation and disorder effects in a five-orbital model derived from the band theory. We find that the experimental observations are consistent with a d-wave spin-orbit density wave order that breaks the symmetry of a joint twofold spin-orbital rotation followed by a lattice translation. There is a Berry phase and a plaquette spin flux due to spin procession as electrons hop between Ir atoms, akin to the intersite spin-orbit coupling in quantum spin Hall insulators. The associated staggered circulating J_{eff}=1/2 spin current can be probed by advanced techniques of spin-current detection in spintronics. This electronic order can emerge spontaneously from the intersite Coulomb interactions between the spatially extended iridium 5d orbitals, turning the metallic state into an electron-doped quasi-2D Dirac semimetal with important implications on the possible superconducting state suggested by recent experiments.

  6. The effect of electron and hole doping on the thermoelectric properties of shandite-type Co3Sn2S2

    OpenAIRE

    Mangelis, Panagiotis; Vaqueiro, Paz; Jumas, Jean-Claude; da Silva, Ivan; Smith, Ronald I; Powell, Anthony V

    2017-01-01

    Electron and hole doping in Co3Sn2S2, through chemical substitution of cobalt by the neighbouring elements, nickel and iron, affects both the structure and thermoelectric properties. Electron doping to form Co3-xNixSn2S2 (0 ≤ x ≤ 3) results in an expansion of the kagome layer and materials become increasingly metallic as cobalt is substituted. Conversely, hole doping in Co3-xFexSn2S2 (0 ≤ x ≤ 0.6) leads to a transition from metallic to n-type semiconducting behaviour at x = 0.5. Iron substitu...

  7. Efficient polymer:fullerene bulk heterojunction solar cells with n-type doped titanium oxide as an electron transport layer

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Youna [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Geunjin [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Heejoo, E-mail: heejook@gist.ac.kr [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Sun Hee [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Lee, Kwanghee, E-mail: klee@gist.ac.kr [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of)

    2015-05-29

    We have reported a highly n-type doped solution-processed titanium metal oxide (TiO{sub x}) for use as an efficient electron-transport layer (ETL) in polymer:fullerene bulk heterojunction (BHJ) solar cells. When the metal ions (Ti) in TiO{sub x} are partially substituted by niobium (Nb), the charge carrier density increased, by an order of magnitude, because of the large electronegativity of Nb compared to that of Ti. Therefore, the work function (WF) of Nb-doped metal oxide (Nb-TiO{sub x}) decreases from 4.75 eV (TiO{sub x}) to 4.66 eV (Nb-TiO{sub x}), leading to an enhancement in the power conversion efficiency (PCE) of BHJ solar cells with a Nb-TiO{sub x} ETL (from 7.99% to 8.40%). - Highlights: • Solution processable Nb-doped TiO{sub x} was developed by simple sol-gel synthesis. • Charge carrier density in TiO{sub x} is significantly increased by introducing Nb element. • The work function value of Nb-doped TiO{sub x} is reduced by introducing Nb element. • A charge recombination inside of PSC with Nb-TiO{sub x} was effectively suppressed.

  8. P-type conduction in Mg-doped GaN treated with low-energy electron beam irradiation (LEEBI)

    International Nuclear Information System (INIS)

    Amano, Hiroshi; Kito, Masahiro; Hiramatsu, Kazumasa

    1989-01-01

    Distinct p-type conduction is realized with Mg-doped GaN by the low-energy electron-beam irradiation (LEEBI) treatment, and the properties of the GaN p-n junction LED are reported for the first time. It was found that the LEEBI treatment drastically lowers the resistivity and remarkably enhances the PL efficiency of MOVPE-grown Mg-doped GaN. The Hall effect measurement of this Mg-doped GaN treated with LEEBI at room temperature showed that the hole concentration is ∼2·10 16 cm -3 , the hole mobility is ∼8 cm 2 /V·s and the resistivity is ∼35Ω· cm. The p-n junction LED using Mg-doped GaN treated with LEEBI as the p-type material showed strong near-band-edge emission due to the hole injection from the p-layer to the n-layer at room temperature. (author)

  9. Nernst effect in the electron-doped cuprate superconductor L a2 -xC exCu O4

    Science.gov (United States)

    Mandal, P. R.; Sarkar, Tarapada; Higgins, J. S.; Greene, Richard L.

    2018-01-01

    We report a systematic study of the Nernst effect in films of the electron-doped cuprate superconductor L a2 -xC exCu O4 as a function of temperature and magnetic field (up to 14 T) over a range of doping from underdoped (x =0.08 ) to overdoped (x =0.16 ). We have determined the characteristic field scale HC2 * of superconducting fluctuation which is found to track the domelike dependence of superconductivity (TC). The fall of HC2 * and TC with underdoping is most likely due to the onset of long-range antiferromagnetic order. We also report the temperature onset, Tonset, of superconducting fluctuations above TC. For optimally doped x =0.11 Tonset (≅39 K ) is high compared to TC (26 K). For higher doping Tonset decreases and tends to zero along with the critical temperature at the end of the superconducting dome. The superconducting gap closely tracks HC2 * measured from the temperature- and field-dependent Nernst signal.

  10. Optical excitations in CuO2-sheets doped and undoped with electrons

    International Nuclear Information System (INIS)

    Tokura, Y.; Arima, T.; Koshihara, S.; Takagi, H.; Ido, T.; Ishibashi, S.; Uchida, S.

    1989-01-01

    This paper reports optical reflectance spectra measured on single crystals of parent families of high T c copper oxide compounds with single-layered CuO 2 -sheets, which clearly show the strong transitons across the charge-transfer (CT) gaps at 1.5-2.0 eV in various types of CuO 2 -sheets. The carrier-doping effects on the CT excitations have been investigated on the Sr-doped La 2 CuO 4 and Ce-doped Nd 2 O 4 crystals

  11. Atomic and electronic structure of doped Si (111 ) (2 √{3 }×2 √{3 }) R 30∘ -Sn interfaces

    Science.gov (United States)

    Yi, Seho; Ming, Fangfei; Huang, Ying-Tzu; Smith, Tyler S.; Peng, Xiyou; Tu, Weisong; Mulugeta, Daniel; Diehl, Renee D.; Snijders, Paul C.; Cho, Jun-Hyung; Weitering, Hanno H.

    2018-05-01

    The hole-doped Si (111 ) (2 √ 3 ×2 √ 3 ) R 30∘ -Sn interface exhibits a symmetry-breaking insulator-insulator transition below 100 K that appears to be triggered by electron tunneling into the empty surface-state bands. No such transition is seen in electron-doped systems. To elucidate the nature and driving force of this phenomenon, the structure of the interface must be resolved. Here we report on an extensive experimental and theoretical study, including scanning tunneling microscopy and spectroscopy (STM/STS), dynamical low-energy electron diffraction (LEED) analysis, and density functional theory (DFT) calculations, to elucidate the structure of this interface. We consider six different structure models, three of which have been proposed before, and conclude that only two of them can account for the majority of experimental data. One of them is the model according to Törnevik et al. [C. Törnevik et al., Phys. Rev. B 44, 13144 (1991), 10.1103/PhysRevB.44.13144] with a total Sn coverage of 14/12 monolayers (ML). The other is the "revised trimer model" with a total Sn coverage of 13/12 ML, introduced in this work. These two models are very difficult to discriminate on the basis of DFT or LEED alone, but STS data clearly point toward the Törnevik model as the most viable candidate among the models considered here. The STS data also provide additional insights regarding the electron-injection-driven phase transformation. Similar processes may occur at other metal/semiconductor interfaces, provided they are nonmetallic and can be doped. This could open up a new pathway toward the creation of novel surface phases with potentially very interesting and desirable electronic properties.

  12. Isotropic Kink and Quasiparticle Excitations in the Three-Dimensional Perovskite Manganite La_{0.6}Sr_{0.4}MnO_{3}.

    Science.gov (United States)

    Horiba, Koji; Kitamura, Miho; Yoshimatsu, Kohei; Minohara, Makoto; Sakai, Enju; Kobayashi, Masaki; Fujimori, Atsushi; Kumigashira, Hiroshi

    2016-02-19

    In order to reveal the many-body interactions in three-dimensional perovskite manganites that show colossal magnetoresistance, we performed an in situ angle-resolved photoemission spectroscopy on La_{0.6}Sr_{0.4}MnO_{3} and investigated the behavior of quasiparticles. We observed quasiparticle peaks near the Fermi momentum in both the electron and the hole bands, and clear kinks throughout the entire hole Fermi surface in the band dispersion. This isotropic behavior of quasiparticles and kinks suggests that polaronic quasiparticles produced by the coupling of electrons with Jahn-Teller phonons play an important role in the colossal magnetoresistance properties of the ferromagnetic metallic phase of three-dimensional manganites.

  13. The composition dependence of magnetic, electronic and optical properties of Mn-doped SixGe1-x nanowires

    Science.gov (United States)

    Wei, Jianglin; Lan, Mu; Zhang, Xi; Xiang, Gang

    2017-07-01

    Mn-doped SixGe1-x nanowires (NWs) with different Ge concentrations have been studied by first-principles calculations. It is found that the spin dependent energy bands of the NWs show rich variations both in bandgap width and type (from indirect to direct) as the Ge concentration changes. The Mn-doped SixGe1-x NWs exhibit half-metallic characteristics for all Ge concentrations, and the ground states of the NWs are found to be ferromagnetic (FM). The net magnetization mapping and spin density of states calculations reveal that Mn 3d electrons have a strong hybridization effect with nearest Ge 4p electrons, which results in the Ge’s nontrivial contribution to the magnetic moment of the NWs. Further magnon dispersion studies show that the magnetic order stability of the NWs is influenced by Ge concentrations. Finally, the dependence of the optical properties of the magnetic NWs on the Ge concentration is demonstrated. Our results suggest that Mn-doped SixGe1-x NWs may be useful in spintronic and optoelectronic devices.

  14. Electronic and atomic structure of complex defects in Al- and Ga-highly doped ZnO films

    Energy Technology Data Exchange (ETDEWEB)

    Menéndez-Proupin, Eduardo [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, 780-0003 Ñuñoa, Santiago (Chile); Palacios, Pablo, E-mail: pablo.palacios@upm.es [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Dpt. FAIAN, E.T.S.I. Aeronáutica y del Espacio, UPM, Pz. Cardenal Cisneros 3, 28040 Madrid (Spain); Wahnón, Perla [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Dpt. TFO, E.T.S.I. Telecomunicación, UPM, Ciudad Universitaria, 28040 Madrid (Spain)

    2015-06-15

    Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopic behavior of both systems. Substitutional doping in Ga–ZnO explain the metallic behavior of the electrical properties. Complexes of interstitial oxygen with substitutional Ga can behave as acceptor and cause partial compensation, as well as gap states below the conduction band minimum as observed in photoemission experiments. Zn vacancies can also act as compensating acceptors. On the other hand, the semiconducting behavior of Al–ZnO and the small variation in the optical gap compared with pure ZnO, can be explained by almost complete compensation between acceptor Zn vacancies and substitutional Al donors. Interstitial Al can also be donor levels and can be the origin of the small band observed in photoemission experiments below the Fermi level. Combinations of substitutional Al with interstitial oxygen can act simultaneously as compensating acceptor and generator of the mentioned photoemission band. The theoretical calculations have been done using density functional theory (DFT) within the generalized gradient approximation with on-site Coulomb interaction. In selected cases, DFT calculations with semilocal-exact exchange hybrid functionals have been performed. Results explain photoelectron spectra of Ga–ZnO and Al–ZnO at the corresponding doping levels. - Highlights: • Defects in Ga- and Al-heavy-doped ZnO films are studied by quantum calculations. • Defects compatible with electrical, optical, and HAXPES spectra are proposed. • Doping efficiency is reduced by Zn vacancies and O interstitials. • HAXPES bands near the Fermi level are induced by Al{sub i}, and complexes Ga{sub Zn}-O{sub i}, and Al{sub Zn}-O{sub i}.

  15. An Investigation of Electronic Structure and Aromaticity in Medium-Sized Nanoclusters of Gold-Doped Germanium

    Directory of Open Access Journals (Sweden)

    Xiao-Jun Li

    2012-01-01

    Full Text Available The electronic property and aromaticity of endohedrally doped and clusters are investigated using the density-functional theory (DFT within the hybrid B3LYP method. The calculated results reveal that the two clusters have high thermodynamic stability reflected by reaction energy. At the same time, it could be hoped that their high stability may arise from the closed-shell spherical aromaticity with eight -electrons satisfying the counting rule with . A popular nucleus-independent chemical shifts (NICSs calculation on basis of magnetic shieldings is also performed to confirm the aromaticity of the three-dimensional nanoclusters with largely negative NICS values. In addition, the electronic features and chemical bonding of the two clusters are analyzed with the help of the density of states (DOS and electron localization function (ELF, and the majority of Ge–Ge bonds on the cage show more covalent characters.

  16. Holistic electronic response underlying the development of magnetism in co-doped diluted magnetic semiconductors

    Science.gov (United States)

    Andriotis, Antonis N.; Menon, Madhu

    2018-05-01

    A systematic analysis of the properties of codoped diluted magnetic semiconductors (DMSs) reveals the role and the effect of the codopants in dictating the magnetic features of the DMSs. Our results indicate that the magnetic features of a codoped DMS is the outcome of synergistic electronic processes of the whole system rather than a local hybridization process isolated from the rest of the system. Specifically, the d-orbital hybridization of the (co)dopants and the introduction of their impurity bands lead to the readjustment of the position of the p-band center of the host’s anions and that of the valence band maximum (VBM). The overall effect of these is to pull the hybridized d-bands of the (co)dopants relative to the Fermi energy, E F , which in turn dictate the value of the magnetic moment of both the dopant as well as the codopant. More precisely, the magnetic moment of a dopant shows an almost linearly increasing (decreasing) variation as the dopant’s d-band center (the latter dictated by the codopant) moves away from (gets closer to) E F . Our results thus suggest a completely new approach in the investigation and understanding of the origin of the defect induced magnetism and support previous reports suggesting the Fermi-energy engineering as a mean for developing high T C DMSs. These trends are demonstrated with results obtained for GaN, GaP, and CdS doped with one of the V, Mn, Co and Cu dopants and codoped with the transition metals of the 3d-series.

  17. Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites

    International Nuclear Information System (INIS)

    Ramos, L E; Degoli, Elena; Cantele, G; Ossicini, Stefano; Ninno, D; Furthmueller, J; Bechstedt, F

    2007-01-01

    We investigate the incorporation of group-III (B and Al), group-IV (C and Ge), and group-V (N and P) impurities in Si nanocrystallites. The structural features and electronic properties of doped Si nanocrystallites, which are faceted or spherical-like, are studied by means of an ab initio pseudopotential method including spin polarization. Jahn-Teller distortions occur in the neighborhood of the impurity sites and the bond lengths show a dependence on size and shape of the nanocrystallites. We find that the acceptor (group-III) and donor (group-V) levels become deep as the nanocrystallites become small. The energy difference between the spin-up and spin-down levels of group-III and group-V impurities decreases as the size of the Si nanocrystallite increases and tends to the value calculated for Si bulk. Doping with carbon introduces an impurity-related level in the energy gap of the Si nanocrystallites

  18. Electronic structure study of Co doped CeO2 nanoparticles using X-ray absorption fine structure spectroscopy

    International Nuclear Information System (INIS)

    Kumar, Shalendra; Gautam, Sanjeev; Song, T.K.; Chae, Keun Hwa; Jang, K.W.; Kim, S.S.

    2014-01-01

    Highlights: • The electronic structural of Co–CeO 2 nanoparticles is investigated using XAFS. • Ce M 5,4 , Ce L 3 and O K edge NEXAFS reveal that the Ce-ions are in +4 valence state. • The NEXAFS spectrum performed at Co L3,2-edge confirms Co-ion in 2+ state. • The EXAFS analysis also show that Co ions are occupying Ce position in doped CeO 2 . • The distances between Ce–O and Ce–Ce/Co in all shells decreases with Co doping. - Abstract: We investigated the electronic structure of well characterized Co doped CeO 2 nanoparticles using X-ray absorption fine structure (XAFS) spectroscopy. Near edge X-ray absorption fine structure (NEXAFS) spectra at Ce M 5,4 , Ce L 3 and O K-edge conclude that the Ce-ions are in +4 valence state in pure as well as in Co doped CeO 2 nanoparticles. The local structure around Ce-atom in Co doped CeO 2 nanoparticles was also determined using extended X-ray absorption fine structure (EXAFS) spectroscopy at Ce L 3 edge. The EXAFS analysis suggest that the inter-atomic distance of Ce–O, Ce–Ce/Co decreases with Co doping, which indicate a contraction of the lattice. The decease in Ce–O distance also reflect that there is a formation of oxygen vacancies in CeO 2 matrix. The Debye–Waller factor also shows the consistent behaviour for all the coordination shells. The atomic multiplet calculations for Co L 3,2 -edge was performed to determine the valence state, symmetry and field splitting, which reflect that Co-ions are in 2+ state and substituted at Ce-site with crystal field splitting of 10Dq=-0.57eV. The XAFS measurements reveal that the Co-ions occupy the Ce position in the CeO 2 host matrix and create a oxygen vacancy

  19. Optical Study of Electron-Doped Cuprate Pr1.3-xLa0.7CexCuO4+δ in Under-Doped Regime: Revisit the Phase Diagram

    Science.gov (United States)

    Ohnishi, Ryota; Nakajima, Masamichi; Miyasaka, Shigeki; Tajima, Setsuko; Adachi, Tadashi; Ohgi, Taro; Takahashi, Akira; Koike, Yoji

    2018-04-01

    A recent progress of reduction process for electron-doped cuprates enabled us to get superconducting samples at very low doping levels. In order to clarify the electronic state of strongly reduced Pr1.3-xLa0.7CexCuO4+δ (x = 0.05, 0.10) which exhibit high Tc (˜27 K) superconductivity, we have measured their optical spectra. The reflectivity of these samples was found much higher than the published data for the moderately reduced and non-superconducting samples with the same Ce concentrations. Moreover, the estimated effective electron numbers Neff for x = 0.05 and 0.10 were close to that of the optimally doped and superconducting sample with x = 0.15. Given that the parent compound is a Mott insulator, these results indicate that in the electron-doped cuprates only a small amount of carrier doping changes the system to a high Tc superconductor with a large Fermi surface. At low temperatures, a broad mid-infrared peak appeared even in the superconducting samples.

  20. Experimental elucidation: microscopic mechanism of resonant X-ray scattering in manganite films

    CERN Document Server

    Ohsumi, H; Kiyama, T

    2003-01-01

    Resonant X-ray scattering experiments have been performed on perovskite manganite La sub 0 sub . sub 5 Sr sub 0 sub . sub 5 MnO sub 3 thin films, which are grown on three distinct perovskite with a coherent epitaxial strain and have a forced ferro-type orbital ordering of Mn 3d orbitals. Using an interference technique, we have successfully observed the resonant X-ray scattering signal from the system having the ferro-type orbital ordering and also revealed the energy scheme of Mn 4p bands. For the forced ferro-type orbital ordering system, the present results evidence that the resonant X-ray scattering signal originates from the band structure effect due to the Jahn-Teller distortion of a MnO sub 6 octahedron, and not from the Coulomb interaction between 3d and 4p electrons. (author)

  1. Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

    Science.gov (United States)

    Cheng, Shaobo; Zhang, Dong; Deng, Shiqing; Li, Xing; Li, Jun; Tan, Guotai; Zhu, Yimei; Zhu, Jing

    2018-04-01

    Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. Herein, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by a genus model from a higher dimension in the graph theory. Our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.

  2. Multiferroic nature of charge-ordered rare earth manganites

    International Nuclear Information System (INIS)

    Serrao, Claudy Rayan; Sundaresan, A; Rao, C N R

    2007-01-01

    Charge-ordered rare earth manganites Nd 0.5 Ca 0.5 MnO 3 ,La 0.25 Nd 0.25 Ca 0.5 MnO 3 , Pr 0.7 Ca 0.3 MnO 3 and Pr 0.6 Ca 0.4 MnO 3 are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers

  3. Multiferroic nature of charge-ordered rare earth manganites

    Energy Technology Data Exchange (ETDEWEB)

    Serrao, Claudy Rayan [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Sundaresan, A [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Rao, C N R [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India)

    2007-12-12

    Charge-ordered rare earth manganites Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3},La{sub 0.25}Nd{sub 0.25}Ca{sub 0.5}MnO{sub 3}, Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} and Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers.

  4. Effect of In-Doping on Electronic Structure and Optical Properties of Sr2TiO4

    International Nuclear Information System (INIS)

    Jiang-Ni, Yun; Zhi-Yong, Zhang; Jun-Feng, Yan; Fu-Chun, Zhang

    2009-01-01

    The effect of In doping on the electronic structure and optical properties of Sr 2 TiO 4 is investigated by a first-principles calculation of plane wave ultrasoft pseudopotentials based on density functional theory. The calculated results reveal that corner-shared TiO 6 octahedra dominate the main electronic properties of Sr 2 TiO 4 and the covalency of the Ti–O(1) bond in the ab plane is stronger than that of the Ti–O(2) bond along the c-axis. After In doping, there is a little lattice expansion in Sr 2 In 0.125 Ti 0.875 O 4 , and the interaction between the Ti–O bond near the impurity In atom is weakened. The binding energies of Sr 2 TiO 4 and Sr 2 In 0.125 Ti 0.875 O 4 , estimated from the electronic structure calculations indicate that the crystal structure of Sr 2 In 0.125 Ti 0.875 O 4 is still stable after doping, but its stability is lower than that of undoped Sr 2 TiO 4 . Moreover, the valence bands (VBs) of the Sr 2 In 0.125 Ti 0.875 O 4 , system consist of O 2p and In 4d states, and the mixing of O 2p and In 4d states makes the top VBs shift significantly to high energies, resulting in visible light absorption. The adsorption of visible light is of practical importance for the application of Sr 2 TiO 4 as a photocatalyst. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  5. Electron Excess Doping and Effective Schottky Barrier Reduction on the MoS2/h-BN Heterostructure.

    Science.gov (United States)

    Joo, Min-Kyu; Moon, Byoung Hee; Ji, Hyunjin; Han, Gang Hee; Kim, Hyun; Lee, Gwanmu; Lim, Seong Chu; Suh, Dongseok; Lee, Young Hee

    2016-10-12

    Layered hexagonal boron nitride (h-BN) thin film is a dielectric that surpasses carrier mobility by reducing charge scattering with silicon oxide in diverse electronics formed with graphene and transition metal dichalcogenides. However, the h-BN effect on electron doping concentration and Schottky barrier is little known. Here, we report that use of h-BN thin film as a substrate for monolayer MoS 2 can induce ∼6.5 × 10 11 cm -2 electron doping at room temperature which was determined using theoretical flat band model and interface trap density. The saturated excess electron concentration of MoS 2 on h-BN was found to be ∼5 × 10 13 cm -2 at high temperature and was significantly reduced at low temperature. Further, the inserted h-BN enables us to reduce the Coulombic charge scattering in MoS 2 /h-BN and lower the effective Schottky barrier height by a factor of 3, which gives rise to four times enhanced the field-effect carrier mobility and an emergence of metal-insulator transition at a much lower charge density of ∼1.0 × 10 12 cm -2 (T = 25 K). The reduced effective Schottky barrier height in MoS 2 /h-BN is attributed to the decreased effective work function of MoS 2 arisen from h-BN induced n-doping and the reduced effective metal work function due to dipole moments originated from fixed charges in SiO 2 .

  6. Ca-site substitution induced a metal-insulator transition in manganite CaMnO3

    International Nuclear Information System (INIS)

    Sousa, D.; Nunes, M.R.; Silveira, C.; Matos, I.; Lopes, A.B.; Melo Jorge, M.E.

    2008-01-01

    A systematic study of the A-site doping in Mn(IV)-rich perovskite manganites Ca 1-x Ho x MnO 3 , over a large homogeneity range (0.1 ≤ x ≤ 0.4), has been performed. A significant increase in the lattice parameters indicated the presence of mixed valence state of Mn: Mn 3+ and Mn 4+ . The substitution of calcium by holmium also induces strong changes in the electrical properties. We found that small Ho concentration produces an important decrease in the electrical resistivity and induces an electrical transition, the temperature corresponding to the metal-insulator transition (T MI ) shifts with the holmium content. This electrical behavior is attributed to the Mn 3+ ions content and a charge order effect

  7. First principles studies of the electronic properties and catalytic activity of single-walled carbon nanotube doped with Pt clusters and chains

    International Nuclear Information System (INIS)

    Hayes, Kayla E.; Lee, Hee-Seung

    2012-01-01

    Highlights: ► Electronic and magnetic properties of (5, 5)-SWNT doped with Pt clusters and chains. ► Pt-doping can change metallic (5, 5)-SWNT to semiconducting CNT. ► Oxygen adsorption on Pt-doped (5, 5)-SWNT is barrierless process. ► Pt-doping reduces the activation barrier of oxygen dissociation reaction. ► Adsorbed oxygen has 2 O 2 - – character. - Abstract: We report the results of density functional theory calculations on the electronic structures, geometrical parameters, and magnetic properties of a wide variety of Pt clusters/chains adsorbed on metallic (5,5) single-walled carbon nanotube (SWNT). It was found that the electronic band structures of Pt/CNT systems are very sensitive to the small changes in the geometries of Pt clusters and chains. In some cases, metallic (5, 5)-SWNT becomes a small-gap semiconducting nanotube with adsorbed Pt clusters and chains. We also investigated the dissociation of molecular oxygen on the (5, 5)-SWNT doped with a single Pt atom via the nudged elastic band (NEB) method. The NEB results showed that the activation barrier is lowered even with a single Pt atom compared to that of pristine SWNT. It was found that the electronic structure of molecular oxygen adsorbed on Pt-doped CNT resembles that of 2 O 2 - , which should facilitate the dissociation process.

  8. Effect of pressure on the magnetic properties of lanthanum manganite

    International Nuclear Information System (INIS)

    Gonchar', L. E.; Leskova, Yu. V.; Nikiforov, A. E.; Kozlenko, D. P.

    2010-01-01

    The crystalline structure of pure lanthanum manganite under external hydrostatic pressure has been studied. The behavior of magnetic properties and nuclear magnetic resonance (NMR) spectra under these conditions is theoretically predicted. It is shown that an increase in the Neel temperature with pressure is not only caused by the general contraction of the crystal, but is also related to certain peculiarities in the baric behavior of the orbital structure.

  9. First-principle study of structural, electronic, vibrational and magnetic properties of HCN adsorbed graphene doped with Cr, Mn and Fe

    International Nuclear Information System (INIS)

    Shi, Li Bin; Wang, Yong Ping; Dong, Hai Kuan

    2015-01-01

    Graphical abstract: - Highlights: • Cr, Mn and Fe doped graphene is more active to adsorb HCN molecule than pristine graphene. • The conductivity of Fe and Mn doped graphene hardly changes after adsorption HCN molecule. • The conductivity of Cr doped graphene can be affected significantly due to HCN adsorption. • The Cr, Mn and Fe may destroy the long range order in graphene. • Phonon density of states suggests that Cr doped graphene is stable. - Abstract: The adsorption energy, electronic structure, lattice vibration and magnetic properties of Cr, Mn and Fe doped graphene with and without HCN adsorption are investigated by the first principles based on density functional theory. The physisorption and chemisorption have been identified. In the paper, Cr-NG, Mn-NG and Fe-NG denote HCN adsorption on Cr, Mn and Fe doped graphene with N atom toward the adsorption site. It is found that the adsorption energy is −1.36 eV for Fe-NG, −0.60 eV for Mn-NG and −0.86 eV for Cr-NG. The Cr-NG will convert from half-metallic behavior to semiconductor after adsorbing HCN molecule, which indicates that the conductivity changes significantly. Phonon density of states (PDOS) shows that the long range order in graphene can be destroyed by doping Fe, Mn and Cr. The imaginary frequency mode in PDOS suggests that Fe and Mn doped graphene is unstable, while Cr doped graphene is stable. The electronic properties are sensitive toward adsorbing HCN, indicating that Cr doped graphene is a promising sensor for detecting HCN molecule. This study provides a useful basis for understanding of a wide variety of physical properties on graphene

  10. Electron energy-loss spectroscopy on n-type doped high-temperature superconductors and related systems

    International Nuclear Information System (INIS)

    Alexander, M.

    1992-08-01

    Electron-enery loss spectroscopy measurements on n-type doped high temperature superconductors, their undoped parent compounds, Y-doped Bi 2 Sr 2 CaCu 2 O 8 and some rare earth oxides are presented. The undoped parent compounds Ln 2 CuO 4 (Ln = Pr, Nd, Sm) are charge transfer insulators with a charge transfer energy gap of 1.4 eV. The conduction band lies in the CuO 2 plane and has mainly Cu3d x 2 -y 2 character. O2p x,y states are slightly hybridized with this band. Upon partially substituting the trivalent Ln ions by tetravalent Ce or Th and monovalent F for the O ions, electron doping of the CuO 2 plane occurs with the electrons having mainly Cu3d character. A rigid band behaviour is proposed by several band structure calculations could be ruled out, as well as the occurence of so called 'mid-gap' states appearing inside the band gap between the valence and conduction bands. The position of the Fermi level was found to be at the bottom of the conduction bands. No measurable influence of the reduction process, necessary to obtain superconductivity, was detected in the unoccupied density of states. Characteristics shifts of the measured oxygen and copper edges were correlated with crossing the metal-insulator transition. These shifts are most probably caused by an improved screening capacity of the free charge carriers. A similar effect was also observed in Y-doped Bi 2 Sr 2 CaCu 2 O 8 . Thus, it was possible to show that the disappearance of the valence band hole states upon doping did not occur in a rigid-band-like manner. The low energy excitations in Nd 1.85 Ce 0.15 CuO 4-δ showed a plasmon like excitation at about 1 eV as well as a reduction and an energy shift of the charge transfer excitation. The dispersion of this plasmon excitation was determined. (orig.)

  11. SU-E-T-782: Using Light Output From Doped Plastic Scintillators to Resolve the Linear Energy Transfer Spectrum of Clinical Electron Beams

    International Nuclear Information System (INIS)

    Nusrat, H; Pang, G; Ahmad, S; Keller, B; Sarfehnia, A

    2015-01-01

    Purpose: This research seeks to develop a portable, clinically-suitable linear energy transfer (LET) detector. In radiotherapy, absorbed dose is commonly used to measure the amount of delivered radiation, though, it is not a good indicator of actual biological damage. LET is the energy absorbed per unit length by a medium along charged particle’s pathway; studies have shown that LET correlates well with relative biological effectiveness (RBE). Methods: According to Birks’ law, light output of plastic scintillators is stopping-power dependent. This dependency can be varied through doping by various high-Z elements. By measuring light output signals of differently doped plastic scintillators (represented by column vector S, where each row corresponds to different scintillator material), the fluence of charged particles of a given LET (represented by column vector Φ, where each row corresponds to different LET bins) can be unfolded by S=R*Φ where R is system response matrix (each row represents a different scintillator, each column corresponds to different electron LET). Monte Carlo (MC) GEANT4.10.1 was used to evaluate ideal detector response of BC408 scintillating material doped with various concentrations of several high Z dopants. Measurements were performed to validate MC. Results: Signal for 1%-lead doped BC408 and the non-doped scintillator was measured experimentally by guiding light emitted by the scintillator (via in-house made taper, fiber system) to a PMT and then an electrometer. Simulations of 1%Pb-doped scintillator to non-doped scintillator revealed 9.3% reduction in light output for 6 MeV electrons which compared well (within uncertainty) with measurements showing 10% reduction (6MeV electrons). Conclusion: Measurements were used to validate MC simulation of light output from doped scintillators. The doping of scintillators is a viable technique to induce LET dependence. Our goal is to use this effect to resolve the LET spectrum of an incident

  12. Electronic charge transfer in cobalt doped fullerene thin films and effect of energetic ion impacts by x-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Thakur, P.; Kumar, Amit; Gautam, S.; Chae, K.H.

    2011-01-01

    We report on the electronic charge transfer in cobalt doped fullerene thin films by means of near-edge x-ray-absorption fine structure (NEXAFS) spectroscopy measurement. Co-doped fullerene films were prepared by co-deposition technique and subjected to energetic ion irradiation (120 MeV Au) for possibly alignment or interconnect of randomly distributed metal particles. Polarization dependent NEXAFS spectra revealed the alignment of Co and C atoms along the irradiated ionic path. The structural changes in Co-doped as-deposited and ion irradiated fullerene films were investigated by means of Raman spectroscopy measurements. Downshift of pentagonal pinch mode A g (2) in Raman spectroscopy indicated the electronic charge transfer from Co atom to fullerene molecules, which is further confirmed by NEXAFS at C K-edge for Co-doped fullerene films.

  13. Enhanced reducibility and electronic conductivity of Nb or W doped Ce0.9Gd0.1O1.95 - δ

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos; Ricote, Sandrine; Foghmoes, Søren Preben Vagn

    2015-01-01

    The transport and thermomechanical properties of acceptor (Gd) and donor (Nb or W) co-doped ceria were investigated. The solubility limit of Nb in Ce0.9Gd0.1O2 - δ (CGO10) exceeds 4 at.%, whereas that of W is approximately 2 at.%. Both the thermal and stoichiometric expansion coefficients...... are decreased relative to that of CGO10. Charge compensation of the donor dopants takes place primarily by annihilation of oxide ion vacancies, and a sharp decrease in ionic mobility is observed upon Nb or W doping of CGO10. On the other hand, the n-type electronic conductivity, associated with the reduction...... of Ce4+, increases upon doping with Nb or W, due to enhanced reducibility of cerium. This is beneficial for applications where electronic conductivity is also required, like oxygen permeation membranes. Modeling shows that 4 at.% Nb or W doped CGO10 will deliver higher oxygen fluxes than CGO10, due...

  14. Ab initio study on the effect of structural relaxation on the electronic and optical properties of P-doped Si nanocrystals

    International Nuclear Information System (INIS)

    Pi, Xiaodong; Ni, Zhenyi; Yang, Deren; Delerue, Christophe

    2014-01-01

    In contrast to the conventional doping of bulk silicon (Si), the doping of Si nanocrystals (NCs) that are often smaller than 5 nm in diameter may lead to serious structural changes. Since the electronic and optical properties of Si NCs are intimately associated with their structures, it is critical to understand how doping impacts the structures of Si NCs. By means of ab initio calculation we now compare 1.4 nm phosphorus (P)-doped Si NCs without structural relaxation and those with structural relaxation. Structural changes induced by structural relaxation are manifested by the stretching and compressing of bonds and apparent variations in bond angles. With the increase of the concentration of P structural changes induced by structural relaxation become more serious. It is found that structural relaxation makes differences in the energy-level schemes of P-doped Si NCs. Structural relaxation also causes the binding energy of an electron in a P-doped Si NC to more significantly increase as the concentration of P increases. With the increase of the concentration of P structural relaxation leads to more pronounced changes in the optical absorption of P-doped Si NCs

  15. The influence of band Jahn-Teller effect and magnetic order on the magneto-resistance in manganite systems

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G.C., E-mail: gcr@iopb.res.i [Condensed Matter Physics Group, Department of Applied Physics and Ballistics, F.M. University, Balasore, Orissa 756019 (India); Parhi, Nilima [Department of Physics, M.P.C. (Autonomous) College, Baripada, Orissa 757001 (India); Behera, S.N. [Institute of Material Science, Bhubaneswar 751004 (India)

    2009-08-01

    A model calculation is presented in order to study the magneto-resistivity through the interplay between magnetic and structural transitions for the manganite systems. The model consists of an orbitally doubly degenerate conduction band and a periodic array of local moments of the t{sub 2g} electrons. The band electrons interact with the local t{sub 2g} electrons via the s-f hybridization. The phonons interact with the band electrons through static and dynamic band Jahn-Teller (J-T) interaction. The model Hamiltonian including the above terms is solved for the single particle Green's functions and the imaginary part of the self-energy gives the electron relaxation time. Thus the magneto-resistivity (MR) is calculated from the Drude formula. The MR effect is explained near the magnetic and structural transition temperatures.

  16. Electronic structures and magnetism for carbon doped CdSe: Modified Becke–Johnson density functional calculations

    Energy Technology Data Exchange (ETDEWEB)

    Fan, S.W., E-mail: fansw1129@126.com; Song, T.; Huang, X.N.; Yang, L.; Ding, L.J.; Pan, L.Q.

    2016-09-15

    Utilizing the full potential linearized augment plane wave method, the electronic structures and magnetism for carbon doped CdSe are investigated. Calculations show carbon substituting selenium could induce CdSe to be a diluted magnetic semiconductor. Single carbon dopant could induce 2.00 μ{sub B} magnetic moment. Electronic structures show the long-range ferromagnetic coupling mainly originates from the p–d exchange-like p–p coupling interaction. Positive chemical pair interactions indicate carbon dopants would form homogeneous distribution in CdSe host. The formation energy implies the non-equilibrium fabricated technology is necessary during the samples fabricated. - Highlights: • The C{sub Se} defects could induce the CdSe to be typical diluted magnetic semiconductor. • Electronic structures show ferromagnetism come from p-d exchange-like p-p coupling. • Chemical pair interactions indicate C{sub Se} prefer homogenous distribution in CdSe host.

  17. Electronic structure of p type Delta doped systems; Estructura electronica de sistemas dopadas con Delta de tipo p

    Energy Technology Data Exchange (ETDEWEB)

    Gaggero S, L.M.; Perez A, R. [Departamento de Fisica de los Materiales, Universidad Nacional de Educacion a Distancia, Senda del Rey s/n, 28040 Madrid (Spain)

    1998-12-31

    We summarize of the results obtained for the electronic structure of quantum wells that consist in an atomic layer doped with impurities of p type. The calculations are made within the frame worth of the wrapper function approach to independent bands and with potentials of Hartree. We study the cases reported experimentally (Be in GaAs and B in Si). We present the levels of energy, the wave functions and the rate of the electronic population between the different subbands, as well as the dependence of these magnitudes with the density of impurities in the layer. The participation of the bans of heavy holes is analysed, light and split-off band in the total electronic population. The effect of the temperature is discussed and we give a possible qualitative explanation of the experimental optical properties. (Author)

  18. The steady-state and transient electron transport within bulk zinc-blende indium nitride: The impact of crystal temperature and doping concentration variations

    International Nuclear Information System (INIS)

    Siddiqua, Poppy; O'Leary, Stephen K.

    2016-01-01

    Within the framework of a semi-classical three-valley Monte Carlo electron transport simulation approach, we analyze the steady-state and transient aspects of the electron transport within bulk zinc-blende indium nitride, with a focus on the response to variations in the crystal temperature and the doping concentration. We find that while the electron transport associated with zinc-blende InN is highly sensitive to the crystal temperature, it is not very sensitive to the doping concentration selection. The device consequences of these results are then explored.

  19. Probing the spin-orbit Mott state in Sr3Ir2O7 by electron doping

    Science.gov (United States)

    Hogan, Thomas C.

    Iridium-based members of the Ruddlesden-Popper family of oxide compounds are characterized by a unique combination of energetically comparable effects: crystal-field splitting, spin-orbit coupling, and electron-electron interactions are all present, and the combine to produce a Jeff = 1/2 ground state. In the bilayer member of this series, Sr3Ir2O7, this state manifests as electrically insulating, with unpaired Ir4+ spins aligned along the long axis of the unit cell to produce a G-type antiferromagnet with an ordered moment of 0.36 uB. In this work, this Mott state is destabilized by electron doping via La3+ substitution on the Sr-site to produce (Sr1-x Lax)3Ir2O7. The introduction of carriers initially causes nano-scale phase-separated regions to develop before driving a global insulator-to-metal transition at x=0.04. Coinciding with this transition is the disappearance of evidence of magnetic order in the system in either bulk magnetization or magnetic scattering experiments. The doping also enhances a structural order parameter observed in the parent compound at forbidden reciprocal lattice vectors. A more complete structural solution is proposed to account for this previously unresolved distortion, and also offers an explanation as to the anomalous net ferromagnetism seen prior in bulk measurements. Finally, spin dynamics are probed via a resonant x-ray technique to reveal evidence of spin-dimer-like behavior dominated by inter-plane interactions. This result supports a bond-operator treatment of the interaction Hamiltonian, and also explains the doping dependence of high temperature magnetic susceptibility.

  20. Fluctuating Charge-Order in Optimally Doped Bi- 2212 Revealed by Momentum-resolved Electron Energy Loss Spectroscopy

    Science.gov (United States)

    Husain, Ali; Vig, Sean; Kogar, Anshul; Mishra, Vivek; Rak, Melinda; Mitrano, Matteo; Johnson, Peter; Gu, Genda; Fradkin, Eduardo; Norman, Michael; Abbamonte, Peter

    Static charge order is a ubiquitous feature of the underdoped cuprates. However, at optimal doping, charge-order has been thought to be completely suppressed, suggesting an interplay between the charge-ordering and superconducting order parameters. Using Momentum-resolved Electron Energy Loss Spectroscopy (M-EELS) we show the existence of diffuse fluctuating charge-order in the optimally doped cuprate Bi2Sr2CaCu2O8+δ (Bi-2212) at low-temperature. We present full momentum-space maps of both elastic and inelastic scattering at room temperature and below the superconducting transition with 4meV resolution. We show that the ``rods'' of diffuse scattering indicate nematic-like fluctuations, and the energy width defines a fluctuation timescale of 160 fs. We discuss the implications of fluctuating charge-order on the dynamics at optimal doping. This work was supported by the Gordon and Betty Moore Foundation's EPiQS Initiative through Grant GBMF-4542. An early prototype of the M-EELS instrument was supported by the DOE Center for Emergent Superconductivity under Award No. DE-AC02-98CH10886.

  1. Analysis of the electronic structures of 3d transition metals doped CuGaS2 based on DFT calculations

    International Nuclear Information System (INIS)

    Zhao Zongyan; Zhou Dacheng; Yi Juan

    2014-01-01

    3d transition metals doped CuGaS 2 are considered as possible absorbing material candidates for intermediated band thin film solar cells. The electronic structure and optical properties of 3d transition metals doped CuGaS 2 are investigated by using density functional theory calculations with the GGA + U method in the present work. The doping with 3d transition metals does not obviously change the crystal structure, band gap, and optical absorption edge of the CuGaS 2 host. However, in the case of CuGa 1−x TM x S 2 (TM = Ti, V, Cr, Fe, and Ni), there is at least one distinct isolated impurity energy level in the band gap, and the optical absorption is enhanced in the ultraviolet-light region. Therefore, these materials are ideal absorber material candidates for intermediated band thin film solar cells. The calculated results are very well consistent with experimental observations, and could better explain them. (semiconductor materials)

  2. Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP

    International Nuclear Information System (INIS)

    Longo, R C; Carrete, J; Alemany, M M G; Gallego, L J

    2013-01-01

    Unlike graphene, a hexagonal InP sheet (HInPS) cannot be obtained by mechanical exfoliation from the native bulk InP, which crystallizes in the zinc blende structure under ambient conditions. However, by ab initio density functional theory calculations we found that a slightly buckled HInPS is stable both in pristine form and when doped with Zn atoms; the same occurred for hydrogen-passivated zigzag InP nanoribbons (ZInPNRs), quasi-one-dimensional versions of the quasi-two-dimensional material. We investigated the electronic properties of both nanostructures, in the latter case also in the presence of an external transverse electric field, and the results are compared with those of hypothetical planar HInPS and ZInPNRs. The band gaps of planar ZInPNRs were found to be tunable by the choice of strength of this field, and to show an asymmetric behavior under weak electric fields, by which the gap can either be increased or decreased depending on their direction; however, this effect is absent from slightly buckled ZInPNRs. The binding energies of the acceptor impurity states of Zn-doped HInPS and ZInPNRs were found to be similar and much larger than that of Zn-doped bulk InP. These latter findings show that the reduction of the dimensionality of these materials limits the presence of free carriers. (paper)

  3. An Investigation of Carbon-Doping-Induced Current Collapse in GaN-on-Si High Electron Mobility Transistors

    Directory of Open Access Journals (Sweden)

    An-Jye Tzou

    2016-06-01

    Full Text Available This paper reports the successful fabrication of a GaN-on-Si high electron mobility transistor (HEMT with a 1702 V breakdown voltage (BV and low current collapse. The strain and threading dislocation density were well-controlled by 100 pairs of AlN/GaN superlattice buffer layers. Relative to the carbon-doped GaN spacer layer, we grew the AlGaN back barrier layer at a high temperature, resulting in a low carbon-doping concentration. The high-bandgap AlGaN provided an effective barrier for blocking leakage from the channel to substrate, leading to a BV comparable to the ordinary carbon-doped GaN HEMTs. In addition, the AlGaN back barrier showed a low dispersion of transiently pulsed ID under substrate bias, implying that the buffer traps were effectively suppressed. Therefore, we obtained a low-dynamic on-resistance with this AlGaN back barrier. These two approaches of high BV with low current collapse improved the device performance, yielding a device that is reliable in power device applications.

  4. Mechanical Properties and Electronic Structure of N and Ta Doped TiC: A First-Principles Study

    International Nuclear Information System (INIS)

    Ma Shi-Qing; Liu Ying; Ye Jin-Wen; Wang Bin

    2014-01-01

    The first principles calculations based on density functional theory (DFT) are employed to investigate the mechanical properties and electronic structure of N and Ta doped TiC. The result shows that the co-doping of nitrogen and tantalum dilates the lattice constant and improves the stability of TiC. Nitrogen and tantalum can signiβcantly enhance the elastic constants and elastic moduli of TiC. The results of B/G and C 12 –C 44 indicate tantalum can markedly increase the ductility of TiC. The electronic structure is calculated to describe the bonding characteristic, which revealed the strong hybridization between C-p and Ta-d and between N-p and Ti-d. The hardnessis is estimated by a semi-empirical model that is based on the Mulliken overlap population and bond length. While the weakest bond takes determinative role of the hardness of materials, the addition of Ta sharply reduces the hardness of TiC. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  5. Electronic excitation-induced structural, optical, and magnetic properties of Ni-doped HoFeO3 thin films

    International Nuclear Information System (INIS)

    Habib, Zubida; Ikram, Mohd; Mir, Sajad A.; Sultan, Khalid; Abida; Majid, Kowsar; Asokan, K.

    2017-01-01

    Present study investigates the electronic excitation-induced modifications in the structural, optical, and magnetic properties of Ni-doped HoFeO 3 thin films grown by pulsed laser deposition on LaAlO 3 substrates. Electronic excitations were induced by 200 MeV Ag 12+ ion beam. These thin films were then characterized using X-ray diffraction (XRD), atomic force microscopy (AFM), UV-Vis spectroscopy, and magnetic measurements. X-ray diffraction analysis confirms that the crystallite growth occurs in the preferred (111) orientation with orthorhombic structure. The XRD results also show that the crystallite size decreases with ion irradiation. AFM results after irradiation show significant changes in the surface roughness and morphology of these films. The optical parameters measured from absorption measurements reveal reduction in the band gap with Ni doping and enhancement of band gap after irradiation. The magnetization vs field measurement at 75 K shows enhancement in saturation magnetization after irradiation for HoFe 1-x Ni x O 3 (x = 0.1 and 0.3) films compared to HoFeO 3 film. Present study shows electronic excitation induces significant changes in the physical properties of these films. (orig.)

  6. Calculation of Electronic and Optical Properties of Doped Titanium Dioxide Nanostructure

    Directory of Open Access Journals (Sweden)

    Sh. Khaleghi

    2012-06-01

    Full Text Available By means of first principles calculations we show that both rutile and anatase phases of bulk TiO2 doped by S, Se or Pb can display substantial decreasing in the band gap (up to 50%, while doping by Zr does not sizably affect the band-gap value. Moreover, the absorption edge is shifted (up to 1 eV to the lower energy range in the case of TiO2 doped by S or Pb that opens a way to enhancing of absorption of sun’s radiation. We also discuss how our findings can improve efficiency of photovoltaic cells and photocatalytic cells for hydrogen generation.

  7. Structure, reactivity and electronic properties of Mn doped Ni{sub 13} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Radhashyam; Datta, Soumendu; Mookerjee, Abhijit, E-mail: abhijit.mookerjee61@gmail.com

    2013-06-15

    In this work we have studied the structural and magnetic properties of Ni{sub 13} cluster mono- and bi-doped with Mn atoms. We have noted their tendency of being reactive toward the H{sub 2} molecule. We have found unusually enhanced stability in the mono-doped cluster (i.e. of the Ni{sub 12}Mn) and the diminished stability of the corresponding chemisorbed cluster, Ni{sub 12}MnH{sub 2}. Our analysis of the stability and HOMO–LUMO gap explains this unusual behavior. Interestingly, we have also seen the quenching in the net magnetic moment upon H{sub 2} absorption in the doped Ni{sub 13−m}Mn{sub m} alloy clusters. This has been reported earlier for smaller Ni{sub n} clusters [1].

  8. Structure, reactivity and electronic properties of Mn doped Ni13 clusters

    International Nuclear Information System (INIS)

    Banerjee, Radhashyam; Datta, Soumendu; Mookerjee, Abhijit

    2013-01-01

    In this work we have studied the structural and magnetic properties of Ni 13 cluster mono- and bi-doped with Mn atoms. We have noted their tendency of being reactive toward the H 2 molecule. We have found unusually enhanced stability in the mono-doped cluster (i.e. of the Ni 12 Mn) and the diminished stability of the corresponding chemisorbed cluster, Ni 12 MnH 2 . Our analysis of the stability and HOMO–LUMO gap explains this unusual behavior. Interestingly, we have also seen the quenching in the net magnetic moment upon H 2 absorption in the doped Ni 13−m Mn m alloy clusters. This has been reported earlier for smaller Ni n clusters [1

  9. Structure, reactivity and electronic properties of Mn doped Ni13 clusters

    Science.gov (United States)

    Banerjee, Radhashyam; Datta, Soumendu; Mookerjee, Abhijit

    2013-06-01

    In this work we have studied the structural and magnetic properties of Ni13 cluster mono- and bi-doped with Mn atoms. We have noted their tendency of being reactive toward the H2 molecule. We have found unusually enhanced stability in the mono-doped cluster (i.e. of the Ni12Mn) and the diminished stability of the corresponding chemisorbed cluster, Ni12MnH2. Our analysis of the stability and HOMO-LUMO gap explains this unusual behavior. Interestingly, we have also seen the quenching in the net magnetic moment upon H2 absorption in the doped NiMnm alloy clusters. This has been reported earlier for smaller Nin clusters [1].

  10. Electronic properties of junctions between aluminium and polyaniline doped with dodecylbenzene sulphonate

    International Nuclear Information System (INIS)

    Bantikassegn, W.

    1997-07-01

    Polyaniline (PANI) doped with dodecylbenzene sulphonate (DBS) anions forms a conducting organic sold. Aluminium contacts to PANI (DBS) polymer are studied using complex impedance spectroscopy and current-voltage characteristics measurements. The I-V characteristic is asymmetric and non-ohmic and shows rectification. The complex impedance spectra show two practically overlapping semi-circles which reveal the existence of two distinct regions at the metal/doped polymer interface. They are modelled by an equivalent circuit consisting of two parallel RC circuits in series representing a thin interfacial insulating (S') layer and a depletion (S) region. The device is therefore an MS'S type, where S' and S are the same chemical compounds in which the S' layer has very low doping content than the S layer. (author). 32 refs, 2 figs, 1 tab

  11. Conventional electron paramagnetic resonance of Mn2+ in synthetic hydroxyapatite at different concentrations of the doped manganese

    Science.gov (United States)

    Murzakhanov, F.; Mamin, G.; Voloshin, A.; Klimashina, E.; Putlyaev, V.; Doronin, V.; Bakhteev, S.; Yusupov, R.; Gafurov, M.; Orlinskii, S.

    2018-05-01

    Powders of synthetic hydroxyapatite doped with Mn2+ ions in concentrations from 0.05 till 5 wt. % were investigated by conventional electron paramagnetic resonance (EPR). The parameters of the spin-Hamiltonian are derived. Partially resolved hyperfine structure in the magnetic fields corresponding to g ≈ 4.3 and g ≈ 9.4 is observed. The narrowing of the central peak with concentration is reported. A possibility to use the linewidth and intensity of the central peak for concentration measurements are discussed. The results could be used for the identification and qualification of Mn2+ in oil, mining and ore formations.

  12. Soft x-ray absorption spectroscopy on Co doped ZnO: structural distortions and electronic structure

    International Nuclear Information System (INIS)

    Kowalik, I A; Guziewicz, E; Godlewski, M; Arvanitis, D

    2016-01-01

    We present soft x-ray absorption spectra from a series of Co doped ZnO films. We discuss systematic variations of the Co L-edge white line intensity and multiplet features for this series of samples. We document sizeable differences in the electronic state of the Co ionic cores, as well as in the local environment of the host lattice atoms, characterised by means of x-ray absorption spectra at the O K-edge and Zn L-edges. Model calculations allow to correlate the observed effects to small structural distortions of the ZnO lattice. (paper)

  13. Correlation between electronic structure and energy band in Eu-doped CuInTe2 semiconductor compound with chalcopyrite structure

    Institute of Scientific and Technical Information of China (English)

    Tai Wang; Yong-Quan Guo; Shuai Li

    2017-01-01

    The Eu-doped Cu(In,Eu)Te2 semiconductors with chalcopyrite structures are promising materials for their applications in the absorption layer for thin-film solar cells due to their wider band-gaps and better optical properties than those of CulnTe2.In this paper,the Eu-doped CulnTe2 (Culn1-xEuxTe2,x =0,0.1,0.2,0.3) are studied systemically based on the empirical electron theory (EET).The studies cover crystal structures,bonding regularities,cohesive energies,energy levels,and valence electron structures.The theoretical values fit the experimental results very well.The physical mechanism of a broadened band-gap induced by Eu doping into CuInTe2 is the transitions between different hybridization energy levels induced by electron hopping between s and d orbitals and the transformations from the lattice electrons to valence electrons for Cu and In ions.The research results reveal that the photovoltaic effect induces the increase of lattice electrons of In and causes the electric resistivity to decrease.The Eu doping into CuInTe2 mainly influences the transition between different hybridization energy levels for Cu atoms,which shows that the 3d electron numbers of Cu atoms change before and after Eu doping.In single phase CuIn1-xEuxTe2,the number of valence electrons changes regularly with increasing Eu content,and the calculated band gap Eg also increases,which implies that the optical properties of Eu-doped CuIn1-xEuxTe2 are improved.

  14. Lead-doped electron-beam-deposited Bi-Sr-Ca-Cu-O superconducting thin films

    Energy Technology Data Exchange (ETDEWEB)

    Agnihotry, S.A.; Saini, K.K.; Kant, C.; Sharma, C.P.; Ekbote, S.N.; Asthana, P.; Nagpal, K.C.; Chandra, S. (National Physical Lab., New Delhi (India))

    1991-03-20

    Superconducting thin films of the lead-doped Bi-Sr-Ca-Cu-O system have been prepared on (100) single-crystal SrTiO{sub 3} substrates by an electron beam deposition technique using a single sintered pellet as the evaporation source. As-deposited films are amorphous and non-superconducting; post-deposition annealing at an optimized temperature in air has been found to result in crystalline and superconducting films. The superconducting characteristics of the films have been observed to be sensitive not only to the duration and temperature of post-deposition annealing but also to the lead content and the sintering parameters for the pellet to be used as the evaporation source. A pellet with nominal composition Bi{sub 3}Pb{sub 1}Sr{sub 3}Ca{sub 3}Cu{sub 4}O{sub y} that had been sintered for 200 h zero resistivity Tc{sup 0}=112 K. However, films deposited using such a pellet as the evaporation source had Tc{sup 0} {approx equal} 73-78 K, as had the films deposited from a pellet without any lead. We investigated systematically films deposited from pellets with more lead and sintered for different durations. It is evident from these investigations that pellets with nominal composition Bi{sub 3}Pb{sub 2}Sr{sub 3}Ca{sub 3}Cu{sub 4}O{sub y}, i.e. with an excess of lead, and sintered for about 75 h when used as the evaporation source yield films with Tc{sup 0} {approx equal} 100 K when annealed between 835 and 840deg C for an optimized long duration. The films are characterized by X-ray diffraction and energy-dispersive spectroscopy techniques and have been found to be highly c axis oriented. The effect of lead in promoting a high Tc{sup 0}=110 K phase seems to be similar to that in bulk ceramics. (orig.).

  15. Doping Li-rich cathode material Li2MnO3 : Interplay between lattice site preference, electronic structure, and delithiation mechanism

    Science.gov (United States)

    Hoang, Khang

    2017-12-01

    We report a detailed first-principles study of doping in Li2MnO3 , in both the dilute doping limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo, and Ru impurities are energetically most favorable when incorporated into Li2MnO3 at the Mn site, whereas Mg is most favorable when doped at the Li sites. Nickel, on the other hand, can be incorporated at the Li site and/or the Mn site, and the distribution of Ni over the lattice sites can be tuned by tuning the material preparation conditions. There is a strong interplay among the lattice site preference and charge and spin states of the dopant, the electronic structure of the doped material, and the delithiation mechanism. The calculated electronic structure and voltage profile indicate that in Ni-, Mo-, or Ru-doped Li2MnO3 , oxidation occurs on the electrochemically active transition-metal ion(s) before it does on oxygen during the delithiation process. The role of the dopants is to provide charge compensation and bulk electronic conduction mechanisms in the initial stages of delithiation, hence enabling the oxidation of the lattice oxygen in the later stages. This work thus illustrates how the oxygen-oxidation mechanism can be used in combination with the conventional mechanism involving transition-metal cations in design of high-capacity battery cathode materials.

  16. Electron paramagnetic resonance and AC susceptibility studies of Mn and Gd doped 1:2:3 superconductors

    International Nuclear Information System (INIS)

    La Robina, M.A.

    1997-01-01

    For many years superconductivity was considered to be a low temperature phenomenon occurring below ∼ 25K. All this changed in April 1986 when J. G. Bednorz and K. A. Muller showed that the oxide La 2-x Ba x CuO 4 becomes a superconductor at ∼ 30K. Later in December 1986 the oxides La 2-x Sr x CuO 4 and La 2-x Ba x CuO 4 synthesised under high pressure, were shown to superconduct at ∼ 40K and ∼ 50K, respectively. Finally in February 1987, Chu synthesised the classic superconductor YBa 2 Cu 3 O 6.8 , the so-called 1:2:3 material, which has a critical temperature circa 92K. In this thesis, electron paramagnetic resonance (EPR) and susceptibility measurements are reported on various superconductors. In 1987 Bowden et al., showed that pure phase 1:2:3 samples are characterised by an absence of Cu EPR signals. This contrasts sharply with the Green phase material, Y 2 Ba 1 Cu 1 O 5 , which shows a very large EPR signal with a g eff of 2.08. In an attempt to induce EPR signals, Mn doped 1:2:3 samples have been synthesised and characterised with EPR , AC susceptibility, XRD and SEM measurements. It is shown that Mn EPR signals are not evident in the Mn doped samples with a g eff of 2.09. Also, below T c the EPR signals of the lightly doped Mn samples vanish. It is argued that this is due to fluxoids motion within the superconductor, which gives rise to very large non-reproducible signals. It is suggested that the signals originate from Cu, impurity contaminants and multiple phases produced when the 1:2:3 superconductor is doped with Manganese (author)

  17. Technique for magnetic susceptibility determination in the highly doped semiconductors by electron spin resonance

    Energy Technology Data Exchange (ETDEWEB)

    Veinger, A. I.; Zabrodskii, A. G.; Tisnek, T. V.; Goloshchapov, S. I.; Semenikhin, P. V. [Ioffe Institute of the Russian Academy of Sciences, St. Petersburg (Russian Federation)

    2014-08-20

    A method for determining the magnetic susceptibility in the highly doped semiconductors is considered. It is suitable for the semiconductors near the metal - insulator transition when the conductivity changes very quickly with the temperature and the resonance line form distorts. A procedure that is based on double integration of the positive part of the derivative of the absorption line having a Dyson shape and takes into account the depth of the skin layer is described. Analysis is made for the example of arsenic-doped germanium samples at a rather high concentration corresponding to the insulator-metal phase transition.

  18. Metamagnetic transition of martensitic type in electron-doped manganites Ca.sub.1-x./sub.Ce.sub.x./sub.MnO.sub.3./sub. (x = 0.10, 0.12)

    Czech Academy of Sciences Publication Activity Database

    Loshkareva, N.N.; Gorbunov, Denis; Andreev, Alexander V.; Mushnikov, N. V.; Skourski, Y.; Wolff-Fabris, F.

    2013-01-01

    Roč. 553, MAR (2013), 199-203 ISSN 0925-8388 R&D Projects: GA ČR GAP204/12/0150 Institutional support: RVO:68378271 Keywords : oxide materials * crystal growth * magnetization * magnetoresistance * phase transitions * high magnetic fields Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.726, year: 2013

  19. Ferromagnetic and twin domains in LCMO manganites

    International Nuclear Information System (INIS)

    Jung, G.; Markovich, V.; Mogilyanski, D.; Beek, C. van der; Mukovskii, Y.M.

    2005-01-01

    Ferromagnetic and twin domains in lightly Ca-doped La 1-x Ca x MnO 3 single crystals have been visualized and investigated by means of the magneto-optical technique. Both types of domains became visible below the Curie temperature. The dominant structures seen in applied magnetic field are associated with magneto-crystalline anisotropy and twin domains. In a marked difference to the twin domains which appear only in applied magnetic field, ferromagnetic domains show up in zero applied field and are characterized by oppositely oriented spontaneous magnetization in adjacent domains. Ferromagnetic domains take form of almost periodic, corrugated strip-like structures. The corrugation of the ferromagnetic domain pattern is enforced by the underlying twin domains

  20. Stability, magnetic and electronic properties of SiC sheet doped with ...

    Indian Academy of Sciences (India)

    2017-09-06

    Sep 6, 2017 ... Recently, silicene, the Si analogue of graphene, was chemi- cally exfoliated from ... semi-conductor [25,27]. The analysis of optical absorption ..... reported for FM graphene oxide doped with nitrogen [41] and to 121.6 and ...

  1. Electronic absorption spectrum of copper-doped magnesium potassium phosphate hexahydrate

    Science.gov (United States)

    Rao, S. N.; Sivaprasad, P.; Reddy, Y. P.; Rao, P. S.

    1992-04-01

    The optical absorption and EPR spectra of magnesium potassium phosphate hexahydrate (MPPH) doped with copper ions are recorded both at room and liquid nitrogen temperatures. The spectrum is characteristic of Cu2+ in tetragonal symmetry. The spin-Hamiltonian parameters and molecular orbital coefficients are evaluated. A correlation between EPR and optical absorption studies is drawn.

  2. Theoretical investigation of electronic, magnetic and optical properties of Fe doped GaN thin films

    International Nuclear Information System (INIS)

    Salmani, E.; Mounkachi, O.; Ez-Zahraouy, H.; Benyoussef, A.; Hamedoun, M.; Hlil, E.K.

    2013-01-01

    Highlights: •Magnetic and optical properties Fe-doped GaN thin films are studied using DFT. •The band gaps of GaN thin films are larger than the one of the bulk. •The layer thickness and acceptor defect can switch the magnetic ordering. -- Abstract: Using first principles calculations based on spin-polarized density functional theory, the magnetic and optical properties of GaN and Fe-doped GaN thin films with and without acceptor defect is studied. The band structure calculations show that the band gaps of GaN thin films with 2, 4 and 6 layers are larger than the one of the bulk with wurtzite structure and decreases with increasing the film thickness. In Fe doped GaN thin films, we show that layer of thickness and acceptor defect can switch the magnetic ordering from disorder local moment (DLM) to ferromagnetic (FM) order. Without acceptor defect Fe doped GaN exhibits spin glass phase in 4 layers form and ferromagnetic state for 2 layers form of the thin films, while it exhibits ferromagnetic phase with acceptor defect such as vacancies defect for 2 and 4 layers. In the FM ordering, the thin films is half-metallic and is therefore ideal for spin application. The different energy between ferromagnetic state and disorder local moment state was evaluated. Moreover, the optical absorption spectra obtained by ab initio calculations confirm the ferromagnetic stability based on the charge state of magnetic impurities

  3. Electronic structure and magnetic studies of V-doped ZnO: ab initio ...

    Indian Academy of Sciences (India)

    2018-05-29

    May 29, 2018 ... ... (TM)-doped DMSs based on II–VI, III–V, group IV and chalcopyrite [8–12] ... expanded up to 1 = 2 in real harmonics (l is the angular momentum quantum ..... Hence, the crystal quality is deteriorated and grain size is reduced ...

  4. The atomic and electronic structure of nitrogen- and boron-doped phosphorene.

    Science.gov (United States)

    Boukhvalov, Danil W

    2015-10-28

    First principles modeling of nitrogen- and boron-doped phosphorene demonstrates the tendency toward the formation of highly ordered structures. Nitrogen doping leads to the formation of -N-P-P-P-N- lines. Further transformation into -P-N-P-N- lines across the chains of phosphorene occurs with increasing band gap and increasing nitrogen concentration, which coincides with the decreasing chemical activity of N-doped phosphorene. In contrast to the case of nitrogen, boron atoms prefer to form -B-B- pairs with the further formation of -P-P-B-B-P-P- patterns along the phosphorene chains. The low concentration of boron dopants converts the phosphorene from a semiconductor into a semimetal with the simultaneous enhancement of its chemical activity. Co-doping of phosphorene by both boron and nitrogen starts from the formation of -B-N- pairs, which provides flat bands and further transformation of these pairs into hexagonal BN lines and ribbons across the phosphorene chains.

  5. Aluminum and carbon substitution in MgB2. Electron doping and scattering effects

    International Nuclear Information System (INIS)

    Samuely, P.; Szabo, P.; Pribulova, Z.; Angst, M.; Bud'ko, S.L.; Canfield, P.C.; Klein, T.; Lyard, L.; Marcus, J.; Marcenat, C.; Kang, B.W.; Kim, H.-J.; Lee, H.-S.; Lee, H.-K.; Lee, S.I.

    2007-01-01

    The point-contact spectroscopy is used to address the evolution of two superconducting energy gaps in the Al- and C-doped magnesium diboride polycrystals and single crystals with T c 's from 39 to 22 K prepared by different techniques. The obtained evolution of two gaps does not show any anomalous behavior but can be consistently described by the combination of the (prevailing) band filling effect and a (minor) increased interband scattering as proposed by Kortus et al. [Kortus et al., Phys. Rev. Lett. 94 (2005) 027002]. The approaching of two gaps is stronger in the Al-doped systems but interband scattering is still not large enough to merge two gaps. The full merging can expected only for higher dopings with T c 's below 10-15 K. In-magnetic-field measurements are used to analyze the intraband scatterings introduced by these two substitutions. It is shown that the carbon doping introduces significant disorder mainly by decreasing the diffusion coefficient in the π band while the Al substitution leaves the samples in the clean limit

  6. Inverted organic solar cells with solvothermal synthesized vanadium-doped TiO2 thin films as efficient electron transport layer

    Institute of Scientific and Technical Information of China (English)

    Mehdi Ahmadi; Sajjad Rashidi Dafeh; Samaneh Ghazanfarpour; Mohammad Khanzadeh

    2017-01-01

    We investigated the effects of using different thicknesses of pure and vanadium-doped thin films of TiO2 as the electron transport layer in the inverted configuration of organic photovoltaic cells based on poly (3-hexylthiophene) P3HT:[6-6] phenyl-(6) butyric acid methyl ester (PCBM).1% vanadium-doped TiO2 nanoparticles were synthesized via the solvothermal method.Crystalline structure,morphology,and optical properties of pure and vanadium-doped TiO2 thin films were studied by different techniques such as x-ray diffraction,scanning electron microscopy,transmittance electron microscopy,and UV-visible transmission spectrum.The doctor blade method which is compatible with roll-2-roll printing was used for deposition of pure and vanadium-doped TiO2 thin films with thicknesses of 30 nm and 60 nm.The final results revealed that the best thickness of TiO2 thin films for our fabricated cells was 30 nm.The cell with vanadium-doped TiO2 thin film showed slightly higher power conversion efficiency and great Jsc of 10.7 mA/cm2 compared with its pure counterpart.In the cells using 60 nm pure and vanadium-doped TiO2 layers,the cell using the doped layer showed much higher efficiency.It is remarkable that the extemal quantum efficiency of vanadium-doped TiO2 thin film was better in all wavelengths.

  7. Crystalline and Electronic Structures and Magnetic and Electrical Properties of La-Doped Ca2Fe2O5 Compounds

    Science.gov (United States)

    Phan, T. L.; Tho, P. T.; Tran, N.; Kim, D. H.; Lee, B. W.; Yang, D. S.; Thiet, D. V.; Cho, S. L.

    2018-01-01

    Brownmillerite Ca2Fe2O5 has been observed to exhibit many outstanding properties that are applicable to ecotechnology. However, very little work on doped Ca2Fe2O5 compounds has been carried out to widen their application scope. We present herein a detailed study of the crystalline/geometric and electronic structures and magnetic and electrical properties of Ca2- x La x Fe2O5 ( x = 0 to 1) prepared by conventional solid-state reaction. X-ray diffraction patterns indicated that the compounds with x = 0 to 0.05 exhibited brownmillerite-type single phase. La doping with higher content ( x ≥ 0.1) stimulated additive formation of Grenier- (LaCa2Fe3O8) and perovskite-type (LaFeO3) phases. Extended x-ray absorption fine structure spectroscopy at the Fe K-edge and electron spin resonance spectroscopy revealed presence of Fe3+ in the parent Ca2Fe2O5 ( x = 0) and both Fe3+ and Fe4+ in the doped compounds ( x ≥ 0.05). The Fe4+ content tended to increase with increasing x. This stimulates ferromagnetic exchange interactions between Fe3+ and Fe4+ ions and directly influences the magnetic properties of Ca2- x La x Fe2O5. Electrical resistivity ( ρ) measurements in the temperature range of T = 20 K to 400 K revealed that all the compounds exhibit insulator behavior; the ρ( T) data for x ≥ 0.1 could be described based on the adiabatic small polaron hopping model.

  8. New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO3−δ

    International Nuclear Information System (INIS)

    Dehkordi, Arash Mehdizadeh; Bhattacharya, Sriparna; Darroudi, Taghi; Alshareef, Husam N.; Tritt, Terry M.

    2015-01-01

    Recently, we have reported a significant enhancement in the electronic and thermoelectric properties of bulk polycrystalline SrTiO 3 ceramics via praseodymium doping. This improvement was originated from the simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity, which was contributed to the non-uniform distribution of Pr dopants. In order to further understand the underlying mechanism, we herein investigate the role of praseodymium doping source (Pr 2 O 3 versus Pr 6 O 11 ) on the synthesis and electronic transport in Pr-doped SrTiO 3 ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our synthesis strategy. Theoretical calculations were also performed in order to estimate the maximum achievable power factor and the corresponding optimal carrier concentration. The result suggests the possibility of further improvement of the power factor. This study should shed some light on the superior electronic transport in bulk polycrystalline Pr-doped SrTiO 3 ceramics and provide new insight on further improvement of the thermoelectric power factor

  9. New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO3−δ

    KAUST Repository

    Dehkordi, Arash Mehdizadeh

    2015-02-07

    Recently, we have reported a significant enhancement in the electronic and thermoelectric properties of bulk polycrystalline SrTiO3 ceramics via praseodymium doping. This improvement was originated from the simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity, which was contributed to the non-uniform distribution of Pr dopants. In order to further understand the underlying mechanism, we herein investigate the role of praseodymium doping source (Pr2O3 versus Pr6O11) on the synthesis and electronic transport in Pr-doped SrTiO3 ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our synthesis strategy. Theoretical calculations were also performed in order to estimate the maximum achievable power factor and the corresponding optimal carrier concentration. The result suggests the possibility of further improvement of the power factor. This study should shed some light on the superior electronic transport in bulk polycrystalline Pr-doped SrTiO3 ceramics and provide new insight on further improvement of the thermoelectric power factor.

  10. de Haas-van Alphen effect investigations of the electronic structure of pure and aluminum-doped MgB2

    International Nuclear Information System (INIS)

    Carrington, A.; Yelland, E.A.; Fletcher, J.D.; Cooper, J.R.

    2007-01-01

    Our understanding of the superconducting properties of MgB 2 is strongly linked to our knowledge of its electronic structure. In this paper we review experimental measurements of the Fermi surface parameters of pure and Al-doped MgB 2 using the de Haas-van Alphen (dHvA) effect. In general, the measurements are in excellent agreement with the theoretical predictions of the electronic structure, including the strength of the electron-phonon coupling on each Fermi surface sheet. For the Al doped samples, we are able to measure how the band structure changes with doping. These results are in excellent agreement with calculations based on the virtual crystal approximation. We also review work on the dHvA effect in the superconducting state

  11. Electronic structure and magnetism of Mn-doped GaSb for spintronic applications: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Seña, N.; Dussan, A. [Departamento de Física, Grupo de Materiales Nanoestructurados y sus Aplicaciones, Universidad Nacional de Colombia, Bogotá (Colombia); Mesa, F. [Facultad de Ciencias Naturales y Matemáticas, Grupo NanoTech, Universidad del Rosario, Bogotá (Colombia); Castaño, E.; González-Hernández, R., E-mail: rhernandezj@uninorte.edu.co [Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla (Colombia)

    2016-08-07

    We have carried out first-principles spin polarized calculations to obtain comprehensive information regarding the structural, magnetic, and electronic properties of the Mn-doped GaSb compound with dopant concentrations: x = 0.062, 0.083, 0.125, 0.25, and 0.50. The plane-wave pseudopotential method was used in order to calculate total energies and electronic structures. It was found that the Mn{sub Ga} substitution is the most stable configuration with a formation energy of ∼1.60 eV/Mn-atom. The calculated density of states shows that the half-metallic ferromagnetism is energetically stable for all dopant concentrations with a total magnetization of about 4.0 μ{sub B}/Mn-atom. The results indicate that the magnetic ground state originates from the strong hybridization between Mn-d and Sb-p states, which agree with previous studies on Mn-doped wide gap semiconductors. This study gives new clues to the fabrication of diluted magnetic semiconductors.

  12. Addressing the efficiency roll-off in a fluorescent OLED by facile electron transport layer doping and carrier confinement

    Science.gov (United States)

    Soman, Anjaly; M, Manuraj; Unni, K. N. Narayanan

    2018-05-01

    Organic light emitting diodes (OLEDs) often face the issue of decreasing power efficiency with increasing brightness. Loss of charge carrier balance is one of the factors contributing to the efficiency roll-off. We demonstrate that by using a combination of doped electron transport layer (ETL) and a specially chosen electron blocking layer (EBL) having high hole mobility, this efficiency roll-off can be effectively suppressed. A tris-(8-hydroxyquinoline) aluminium (Alq3) based OLED has been fabricated with 2,3,6,7-Tetrahydro-1,1,7,7,-tetramethyl-1H, 5H,11H-10-(2-benzothiazolyl) quinolizino-[9,9a, 1n gh]coumarin (C545T) as the emissive dopant. Bulk doping of the ETL with lithium fluoride (LiF) was optimized to increase the luminous intensity as well as the current efficiency. An EBL with high hole mobility introduced between the EML and the hole transport layer (HTL) improved the performance drastically, and the device brightness at 9 V got improved by a factor of 2.5 compared to that of the control device. While increasing the brightness from 100 cd/m2 to 1000 cd/m2, the power efficiency drop was 47% for the control device whereas only a drop of 15% was observed for the modified device. The possible mechanisms for the enhanced performance are discussed.

  13. Energy- and temperature dependences of secondary electron emission of CsI- and CsBr layers doped with Cd

    International Nuclear Information System (INIS)

    Galij, P.V.; Tsal', N.A.

    1983-01-01

    The energy and temperature dependences of the secondary electron emission coefficient (SEEC) of CsI-Cd-, CsBr-Cd-, CsI-CsBr layers have been studied. The effect of bivalent cadmium impurity on the SEEC value is investigated. It is shown that implantation of small amounts of Cd 2+ impurity into the lattice of the initial monocrystals might increase the SEEC values of the layers. Temperature dependences (TD) of SEEC are measured and the possibility of comparing experimental results with the Dekker formula is analyzed. A conclusion is drawn that the Dekker model well describes the TD of SEEC of doped layers at temperatures T < or approximately 100 deg C. At elevated temperatures., along with secondary electron scattering on phonons, one should take into account their scattering on vacancies

  14. Nearest-neighbor Kitaev exchange blocked by charge order in electron-doped α -RuCl3

    Science.gov (United States)

    Koitzsch, A.; Habenicht, C.; Müller, E.; Knupfer, M.; Büchner, B.; Kretschmer, S.; Richter, M.; van den Brink, J.; Börrnert, F.; Nowak, D.; Isaeva, A.; Doert, Th.

    2017-10-01

    A quantum spin liquid might be realized in α -RuCl3 , a honeycomb-lattice magnetic material with substantial spin-orbit coupling. Moreover, α -RuCl3 is a Mott insulator, which implies the possibility that novel exotic phases occur upon doping. Here, we study the electronic structure of this material when intercalated with potassium by photoemission spectroscopy, electron energy loss spectroscopy, and density functional theory calculations. We obtain a stable stoichiometry at K0.5RuCl3 . This gives rise to a peculiar charge disproportionation into formally Ru2 + (4 d6 ) and Ru3 + (4 d5 ). Every Ru 4 d5 site with one hole in the t2 g shell is surrounded by nearest neighbors of 4 d6 character, where the t2 g level is full and magnetically inert. Thus, each type of Ru site forms a triangular lattice, and nearest-neighbor interactions of the original honeycomb are blocked.

  15. Computational investigation of the co-doping effect of sulphur and nitrogen on the electronics of CsTaWO6

    Directory of Open Access Journals (Sweden)

    Liuxie Liu

    2017-03-01

    Full Text Available CsTaWO6 is a typical AMWO6-type compound and the photocatalysis of the pure and doped phases has been extensively studied experimentally. In this work, the electronic structures of sulphur (S and nitrogen (N co-doped CsTaWO6 have been studied in the framework of density functional theory, in particular the S/N co-doping effect has been investigated. It is found that, (i S/N co-dopants prefer to be separated; (ii middle-gap states are introduced by N and S-dopant at the edges of valence band and conduction band; and (iii Co-doping not only narrows the band gap, but also promotes the separation of photo-excited electrons and holes. Feature (iii has been identified as a key reason why S/N co-doped CsTaWO6 is more efficient in photocatalytic water-splitting. A general doping strategy has been further suggested: co-dopants which can dominate the frontier states and favour to be separated can offer excellent photocatalysis performance.

  16. Electron mobility and drift velocity in selectively doped InAlAs/InGaAs/InAlAs heterostructures

    International Nuclear Information System (INIS)

    Vasil’evskii, I. S.; Galiev, G. B.; Klimov, E. A.; Požela, K.; Požela, J.; Jucienė, V.; Sužiedėlis, A.; Žurauskienė, N.; Keršulis, S.; Stankevič, V.

    2011-01-01

    An increase in the electron mobility and drift velocity in high electric fields in quantum wells of selectively doped InAlAs/InGaAs/InAsAs heterostructures is obtained experimentally via controlling the composition of semiconductors forming the interface. The electron mobility at the interface in the In 0.8 Ga 0.2 As/In 0.7 Al 0.3 As metamorphic structure with a high molar fraction of In (0.7–0.8) is as high as 12.3 × 10 3 cm 2 V −1 s −1 at room temperature. An increase in the electron mobility by a factor of 1.1–1.4 is attained upon the introduction of thin (1–3 nm) InAs layers into a quantum well of selectively doped In 0.53 Ga 0.47 As/In 0.52 Al 0.48 As heterostructures. A maximal drift velocity attains 2.5 × 10 7 cm/s in electric fields of 2–5 kV/cm. The threshold field F th for the intervalley Γ-L electron transfer (the Gunn effect) in the InGaAs quantum well is higher than in the bulk material by a factor of 2.5–3. The effect of two- to threefold decrease in the threshold field F th in the InGaAs quantum well is established upon increasing the molar fraction of In in the InAlAs barrier, as well as upon the introduction of thin InAs inserts into the InGaAs quantum well.

  17. Doping effect on electronic transport properties of Sr14(Cu1-y M y )24O41 (M=Zn, Ni)

    International Nuclear Information System (INIS)

    Xie Hui; Hu Ni; Wang Lili; Lin Ying; Xiong Rui; Yu Zuxing; Tang Wufeng; Wang Ququan; Shi Jing

    2006-01-01

    Polycrystalline samples of Sr 14 (Cu 1- y M y ) 24 O 41 (M=Zn/Ni) were prepared by conventional solid-state reaction. The series of samples up to y≤0.05 are identified to be single phase and no regular shift of lattice parameters a, b, c is found. The measurements of electronic transport show that although the doping compounds are still semiconductive as the parent phase, Zn and Ni dopants induce a decrease of electrical resistivity. Furthermore, Zn doping depresses the resistivity more significantly than Ni doping. A crossover temperature T ρ that exhibits in the Arrhenius plot of the resistivity versus temperature is observed in all the samples and goes up with the increase of the dopants. The origin of the decrease in resistivity with doping and the conduction mechanisms both above T ρ and below T ρ are discussed

  18. Comparative study of InGaP/GaAs high electron mobility transistors with upper and lower delta-doped supplied layers

    International Nuclear Information System (INIS)

    Tsai, Jung-Hui; Ye, Sheng-Shiun; Guo, Der-Feng; Lour, Wen-Shiung

    2012-01-01

    Influence corresponding to the position of δ-doped supplied layer on InGaP/GaAs high electron mobility transistors is comparatively studied by two-dimensional simulation analysis. The simulated results exhibit that the device with lower δ-doped supplied layer shows a higher gate potential barrier height, a higher saturation output current, a larger magnitude of negative threshold voltage, and broader gate voltage swing, as compared to the device with upper δ-doped supplied layer. Nevertheless, it has smaller transconductance and inferior high-frequency characteristics in the device with lower δ-doped supplied layer. Furthermore, a knee effect in current-voltage curves is observed at low drain-to-source voltage in the two devices, which is investigated in this article.

  19. Structure and magnetic properties of Fe doped In{sub 2}O{sub 3} thin films prepared by electron beam evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Krishna, N. Sai; Kaleemulla, S., E-mail: skaleemulla@gmail.com; Rao, N. Madhusudhana; Krishnamoorthi, C.; Begam, M. Rigana [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore – 632014 (India); Amarendra, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam – 603102 (India); UGC-DAE-CSR, Kalpakkam Node, Kokilamedu, Tamilnadu -603104 (India)

    2015-06-24

    Pure and Fe (7 at.%) doped In{sub 2}O{sub 3} thin films were grown onto the glass substrates by electron beam evaporation technique. The structural and magnetic properties of the pure and Fe doped In{sub 2}O{sub 3} thin films have been studied. The undoped and Fe doped In{sub 2}O{sub 3} thin films shown ferromagnetic property at room temperature. A magnetization of 24 emu/cm{sup 3} was observed for pure In{sub 2}O{sub 3} thin films. The magnetization of 38.23 emu/cm{sup 3} was observed for the Fe (7 at.%) doped In{sub 2}O{sub 3} thin films.

  20. Engineering high charge transfer n-doping of graphene electrodes and its application to organic electronics.

    Science.gov (United States)

    Sanders, Simon; Cabrero-Vilatela, Andrea; Kidambi, Piran R; Alexander-Webber, Jack A; Weijtens, Christ; Braeuninger-Weimer, Philipp; Aria, Adrianus I; Qasim, Malik M; Wilkinson, Timothy D; Robertson, John; Hofmann, Stephan; Meyer, Jens

    2015-08-14

    Using thermally evaporated cesium carbonate (Cs2CO3) in an organic matrix, we present a novel strategy for efficient n-doping of monolayer graphene and a ∼90% reduction in its sheet resistance to ∼250 Ohm sq(-1). Photoemission spectroscopy confirms the presence of a large interface dipole of ∼0.9 eV between graphene and the Cs2CO3/organic matrix. This leads to a strong charge transfer based doping of graphene with a Fermi level shift of ∼1.0 eV. Using this approach we demonstrate efficient, standard industrial manufacturing process compatible graphene-based inverted organic light emitting diodes on glass and flexible substrates with efficiencies comparable to those of state-of-the-art ITO based devices.

  1. Electronic and magnetic properties of 3d-metal trioxides superhalogen cluster-doped monolayer MoS2: A first-principles study

    International Nuclear Information System (INIS)

    Li, Dan; Niu, Yuan; Zhao, Hongmin; Liang, Chunjun; He, Zhiqun

    2014-01-01

    Utilizing first-principle calculations, the structural, electronic, and magnetic properties of monolayer MoS 2 doped with 3d transition-metal (TM) atoms and 3d-metal trioxides (TMO 3 ) superhalogen clusters are investigated. 3d-metal TMO 3 superhalogen cluster-doped monolayers MoS 2 almost have negative formation energies except CoO 3 and NiO 3 doped monolayer MoS 2 , which are much lower than those of 3d TM-doped structures. 3d-metal TMO 3 superhalogen clusters are more easily embedded in monolayer MoS 2 than 3d-metal atoms. MnO 3 , FeO 3 , CoO 3 , and NiO 3 incorporated into monolayer MoS 2 are magnetic, and the total magnetic moments are approximately 1.0, 2.0, 3.0, and 4.0 μB per supercell, respectively. MnO 3 and FeO 3 incorporated into monolayer MoS 2 become semiconductors, whereas CoO 3 and NiO 3 incorporated into monolayer MoS 2 become half-metallic. Our studies demonstrate that the half-metallic ferromagnetic nature of 3d-metal TMO 3 superhalogen clusters-doped monolayer MoS 2 has a great potential for MoS 2 -based spintronic device applications. -- Highlights: •TMO 3 superhalogen clusters incorporated into monolayer MoS 2 were investigated. •TMO 3 doped structures have much lower formation energies than TM doped structures. •TMO 3 cluster-doped MoS 2 are thermodynamically favored. •Significant charge transfers between O atoms and Mo atoms in TMO 3 doped structures. •MnO 3 , FeO 3 , CoO 3 , and NiO 3 incorporated into monolayer MoS 2 are magnetic.

  2. A model study of tunneling conductance spectra of ferromagnetically ordered manganites

    Science.gov (United States)

    Panda, Saswati; Kar, J. K.; Rout, G. C.

    2018-02-01

    We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

  3. Opto-electronic properties of chromium doped indium-tin-oxide films deposited at room temperature

    International Nuclear Information System (INIS)

    Chang Weiche; Lee Shihchin; Yang Chihhao; Lin Tienchai

    2008-01-01

    Indium-tin-oxide (ITO) doped chromium films were deposited on Corning 7059 glass prepared by radio frequency (RF) magnetron sputtering under various levels of sputtering power for the chromium target. Experimental results show that the surface roughness slightly decreases by co-sputtering Cr. The pure ITO films deposited at room temperature were amorphous-like. At 15 W of chromium target power, the structure of ITO: Cr film mainly consists of (2 2 2) crystallization plane, with minority of (2 1 1), (4 4 0), (6 6 2) crystallization planes. The carrier concentration of the ITO films increases with increasing the doping of chromium, however the mobility of the carrier decreases. When the sputtering power of the chromium target is at 7.5 W, there has a maximum carrier mobility of 27.3 cm 2 V -1 s -1 , minimum carrier concentration of 2.47 x 10 20 cm -3 , and lowest resistivity of 7.32 x 10 -4 Ω cm. The transmittance of all the chromium doped ITO films at the 300-800 nm wavelength region in this experiment can reach up to 70-85%. In addition, the blue shift of UV-Vis spectrum is not observed with the increase of carrier concentration

  4. Tuning the Schottky Barrier at the Graphene/MoS2 Interface by Electron Doping

    DEFF Research Database (Denmark)

    Jin, Chengjun; Rasmussen, Filip Anselm; Thygesen, Kristian Sommer

    2015-01-01

    ) with a generalized gradient approximation predicts a Schottky barrier height of 0.18 eV, whereas the G0W0 method increases this value to 0.60 eV. While the DFT band gap of MoS2 does not change when the heterostructure is formed, the G0W0 gap is reduced by 0.30 eV as a result of the enhanced screening by the graphene...... layer. In contrast to the case of metal substrates, where the band alignment is governed by Pauli repulsion-induced interface dipoles, the graphene/MoS2 heterostructure shows only a negligible interface dipole. As a consequence, the band alignment at the neutral heterostructure is not changed when...... the two layers are brought into contact. We systematically follow the band alignment as a function of doping concentration and find that the Fermi level of the graphene crosses the MoS2 conduction band at a doping concentration of around 1012 cm–2. The variation of the energy levels with doping...

  5. Stabilization of Fermi level via electronic excitation in Sn doped CdO thin films

    Science.gov (United States)

    Das, Arkaprava; Singh, Fouran

    2018-04-01

    Pure and Sn doped CdO sol-gel derived thin films were deposited on corning glass substrate and further irradiated by swift heavy ion (SHI) (Ag and O) with fluence upto 3×1013 ions/cm2. The observed tensile stress from X-ray diffraction pattern at higher fluence for Ag ions can be corroborated to the imbrications of cylindrical tracks due to multiple impacts. The anomalous band gap enhancement after irradiation may be attributed to the consolidated effect of Burstein-Moss shift (BMS) and impurity induced virtual gap states (ViGs). At higher excitation density as Fermi stabilization level (EFS) tends to coincide with charge neutrality level (CNL), band gap enhancement saturates as further creation of additional defects inside the lattice becomes unsustainable. Raman spectroscopy divulges an intensity enhancement of 478 cm-1 LO phonon mode with Sn doping and irradiation induces further asymmetric peak broadening due to damage and disordering inside the lattice. However for 3% Sn doped thin film irradiated with Ag ions having 3×1013 fluence shows a drastic change in structural properties and reduction in band gap which might be attributed to the generation of localized energy levels between conduction and valance band due to high density of defects.

  6. Electronic structure and field emission properties of nitrogen doped graphene nano-flakes (GNFs:N) and carbon nanotubes (CNTs:N)

    Energy Technology Data Exchange (ETDEWEB)

    Ray, Sekhar C., E-mail: Raysc@unisa.ac.za [Department of Physics, College of Science, Engineering and Technology, University of South Africa, Private Bag X6, Florida, 1710, Science Campus, Christiaan de Wet and Pioneer Avenue, Florida Park, Johannesburg (South Africa); Pong, W.F. [Department of Physics, Tamkang University, Tamsui 251, New Taipei City, Taiwan (China); Papakonstantinou, P. [Nanotechnology and Integrated Bio-Engineering Centre, University of Ulster, Shore Road, Newtownabbey BT37 0QB (United Kingdom)

    2016-09-01

    Highlights: • Nitrogen doped graphene nano-flakes (GNFs:N) and carbon nano-tubes (CNTs:N) are used to study the electronic/bonding structure along with their defects state. • The I{sub D}/I{sub G} ratio obtained from Raman spectroscopy used for the study of the defects states of CNTs:N than GNFs:N. • The electron field emission result shows that the turn on electric field is lower in case of CNTs:N than GNFs:N. • All results are good agreement with XANES and the results obtained from Raman spectra. - Abstract: Substitution of hetero-atom doping is a promising route to modulate the outstanding material properties of carbon nanotubes and graphene for customized applications. Nitrogen-doping has been introduced to ensure tunable work-function, enhanced n-type carrier concentration, diminished surface energy, and manageable polarization. Along with the promising assessment of N-doping effects, research on the N-doped carbon based composite structures is emerging for the synergistic integration with various functional materials. Nitrogen undoped/doped graphene nano-flakes (GNFs/GNFs:N) and multiwall carbon nano-tubes (MWCNTs/MWCNTs:N) are used for comparative study of their electronic/bonding structure along with their defects state. X-ray absorption near edge structure (XANES) spectroscopy shows that the GNFs:N produce mainly pyridine like structure; whereas MWCNTs:N shows graphitic nitrogen atoms are attached with the carbon lattice. The I{sub D}/I{sub G} ratio obtained from Raman spectroscopy shows that the defects is higher in MWCNTs:N than GNFs:N. The electron field emission result shows that the turn on electric field is lower (higher electron emission current) in case of MWCNTs:N than GNFs:N and are good agreement with XANES and the results obtained from Raman spectra.

  7. Resistance switching induced by electric fields in manganite thin films

    International Nuclear Information System (INIS)

    Villafuerte, M; Juarez, G; Duhalde, S; Golmar, F; Degreef, C L; Heluani, S P

    2007-01-01

    In this work, we investigate the polarity-dependent Electric Pulses Induced Resistive (EPIR) switching phenomenon in thin films driven by electric pulses. Thin films of 0.5 Ca 0.5 MnO 3 (manganite) were deposited by PLD on Si substrate. The transport properties at the interface between the film and metallic electrode are characterized in order to study the resistance switching. Sample thermal treatment and electrical field history are important to be considered for get reproducible EPIR effect. Carriers trapping at the interfaces are considered as a possible explanation of our results

  8. Topological dynamics of vortex-line networks in hexagonal manganites

    Science.gov (United States)

    Xue, Fei; Wang, Nan; Wang, Xueyun; Ji, Yanzhou; Cheong, Sang-Wook; Chen, Long-Qing

    2018-01-01

    The two-dimensional X Y model is the first well-studied system with topological point defects. On the other hand, although topological line defects are common in three-dimensional systems, the evolution mechanism of line defects is not fully understood. The six domains in hexagonal manganites converge to vortex lines in three dimensions. Using phase-field simulations, we predicted that during the domain coarsening process, the vortex-line network undergoes three types of basic topological changes, i.e., vortex-line loop shrinking, coalescence, and splitting. It is shown that the vortex-antivortex annihilation controls the scaling dynamics.

  9. Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles study.

    Science.gov (United States)

    Azam, Mohd Asyadi; Alias, Farizul Muiz; Tack, Liew Weng; Seman, Raja Noor Amalina Raja; Taib, Mohamad Fariz Mohamad

    2017-08-01

    Carbon nanotubes (CNTs) have received enormous attention due to their fascinating properties to be used in various applications including electronics, sensing, energy storage and conversion. The first principles calculations within density functional theory (DFT) have been carried out in order to investigate the structural, electronic and optical properties of un-doped and doped CNT nanostructures. O 2 , CO 2 , and CH 3 OH have been chosen as gas molecules to study the adsorption properties based on zigzag (8,0) SWCNTs. The results demonstrate that the adsorption of O 2 , CO 2, and CH 3 OH gas molecules on pristine, Si-doped and B-doped SWCNTs are either physisorption or chemisorption. Moreover, the electronic properties indicating SWCNT shows significant improvement toward gas adsorption which provides the impact of selecting the best gas sensor materials towards detecting gas molecule. Therefore, these pristine, Si-, and B-doped SWCNTs can be considered to be very good potential candidates for sensing application. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Effect of Mg doping in ZnO buffer layer on ZnO thin film devices for electronic applications

    Science.gov (United States)

    Giri, Pushpa; Chakrabarti, P.

    2016-05-01

    Zinc Oxide (ZnO) thin films have been grown on p-silicon (Si) substrate using magnesium doped ZnO (Mg: ZnO) buffer layer by radio-frequency (RF) sputtering method. In this paper, we have optimized the concentration of Mg (0-5 atomic percent (at. %)) ZnO buffer layer to examine its effect on ZnO thin film based devices for electronic and optoelectronic applications. The crystalline nature, morphology and topography of the surface of the thin film have been characterized. The optical as well as electrical properties of the active ZnO film can be tailored by varying the concentration of Mg in the buffer layer. The crystallite size in the active ZnO thin film was found to increase with the Mg concentration in the buffer layer in the range of 0-3 at. % and subsequently decrease with increasing Mg atom concentration in the ZnO. The same was verified by the surface morphology and topography studies carried out with scanning electron microscope (SEM) and atomic electron microscopy (AFM) respectively. The reflectance in the visible region was measured to be less than 80% and found to decrease with increase in Mg concentration from 0 to 3 at. % in the buffer region. The optical bandgap was initially found to increase from 3.02 eV to 3.74 eV by increasing the Mg content from 0 to 3 at. % but subsequently decreases and drops down to 3.43 eV for a concentration of 5 at. %. The study of an Au:Pd/ZnO Schottky diode reveals that for optimum doping of the buffer layer the device exhibits superior rectifying behavior. The barrier height, ideality factor, rectification ratio, reverse saturation current and series resistance of the Schottky diode were extracted from the measured current voltage (I-V) characteristics.

  11. Electron mass anisotropy of BaZrO3 doped YBCO thin films in pulsed magnetic fields up to 30 T

    International Nuclear Information System (INIS)

    Palonen, H; Huhtinen, H; Paturi, P; Shakhov, M A

    2013-01-01

    The high anisotropy of the critical current density in the high-temperature superconductor YBa 2 Cu 3 O 6+x can be compensated by changing the pinning landscape, for example, through doping with BaZrO 3 . We measure the change due to BaZrO 3 doping in the effective electron mass anisotropy, γ, by resistive measurements of the upper critical field in pulsed high magnetic fields. It is found that the angular dependence of the upper critical field follows the Blatter scaling up to 30 T but the irreversibility field does not. We also report a significant reduction in the effective electron mass anisotropy from 6.0 to 3.4 by BaZrO 3 doping. (paper)

  12. Half-metallicity and electronic structures for carbon-doped group III-nitrides: Calculated with a modified Becke-Johnson potential

    Science.gov (United States)

    Fan, Shuai-wei; Wang, Ri-gao; Xu, Pemg

    2016-09-01

    The electronic structures and magnetism for carbon-doped group III-nitrides are investigated by utilizing the first principle method with the modified Becke-Johnson potential. Calculations show that carbon substituting cations (anions) would induce the group III-nitrides to be paramagnetic metals (half-metallic ferromagnets). Single carbon substituting nitrogen could produce 1.00μB magnetic moment. Electronic structures indicate that the carriers-mediated double-exchange interaction plays a crucial role in forming the ferromagnetism. Based on the mean-field theory, the Curie temperature for carbon-doped group III-nitrides would be above the room temperature. Negative chemical pair interactions imply that carbon dopants tend to form clustering distribution in group III-nitrides. The nitrogen vacancy would make the carbon-doped group III-nitrides lose the half-metallic ferromagnetism.

  13. Competition between electronic energy transfer and relaxation in Xe doped Ar and Ne matrices studied by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Schwentner, N.; Koch, E.E.

    1976-01-01

    Thin films of solid Ar and Ne doped with 1% Xe were excited with photons in the energy range from 10 eV to 20 eV in order to measure the energy distribution of the emitted electrons. Binding energies of th host and guest levels are deduced. When host excitons are excited, strong emission of electrons is observed indicating an efficient transfer of the host exciton energy to the Xe guest atoms. The energy of the free excitons is transferred, as can be deduced from the kinetic energy of the photoemitted electrons, rather than the energy of the bound (self-trapped) excitons which are observed in luminescence experiments. Furthermore, there is a striking difference between the Ar and the Ne matrix: In the Ne matrix a fast relaxation from the n = 2 to the n = 1 state was observed and only the energy of the n = 1 exciton is transferred even when higher excitons are excited, in contrast to Ar, where the transferred energy is higher for excitation of the n = 2 excitons than for n = 1. From these observations, time hierarchies for the competition between electronic energy transfer and relaxation are deduced. (orig.) [de

  14. Nanoscale magnetism and novel electronic properties of a bilayer bismuth(111) film with vacancies and chemical doping.

    Science.gov (United States)

    Sahoo, M P K; Zhang, Yajun; Wang, Jie

    2016-07-27

    Magnetically doped topological insulators (TIs) exhibit several exotic phenomena including the magnetoelectric effect and quantum anomalous Hall effect. However, from an experimental perspective, incorporation of spin moment into 3D TIs is still challenging. Thus, instead of 3D TIs, the 2D form of TIs may open up new opportunities to induce magnetism. Based on first principles calculations, we demonstrate a novel strategy to realize robust magnetism and exotic electronic properties in a 2D TI [bilayer Bi(111) film: abbreviated as Bi(111)]. We examine the magnetic and electronic properties of Bi(111) with defects such as bismuth monovacancies (MVs) and divacancies (DVs), and these defects decorated with 3d transition metals (TMs). It has been observed that the MV in Bi(111) can induce novel half metallicity with a net magnetic moment of 1 μB. The origin of half metallicity and magnetism in MV/Bi(111) is further explained by the passivation of the σ-dangling bonds near the defect site. Furthermore, in spite of the nonmagnetic nature of DVs, the TMs (V, Cr, Mn, and Fe) trapped at the 5/8/5 defect structure of DVs can not only yield a much higher spin moment than those trapped at the MVs but also display intriguing electronic properties such as metallic, semiconducting and spin gapless semiconducting properties. The predicted magnetic and electronic properties of TM/DV/Bi(111) systems are explained through density of states, spin density distribution and Bader charge analysis.

  15. Electron Number-Based Phase Diagram of Pr1 -xLaCex CuO4 -δ and Possible Absence of Disparity between Electron- and Hole-Doped Cuprate Phase Diagrams

    Science.gov (United States)

    Song, Dongjoon; Han, Garam; Kyung, Wonshik; Seo, Jeongjin; Cho, Soohyun; Kim, Beom Seo; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki; Yoshida, Y.; Eisaki, H.; Park, Seung Ryong; Kim, C.

    2017-03-01

    We performed annealing and angle resolved photoemission spectroscopy studies on electron-doped cuprate Pr1 -xLaCex CuO4 -δ (PLCCO). It is found that the optimal annealing condition is dependent on the Ce content x . The electron number (n ) is estimated from the experimentally obtained Fermi surface volume for x =0.10 , 0.15 and 0.18 samples. It clearly shows a significant and annealing dependent deviation from the nominal x . In addition, we observe that the pseudo-gap at hot spots is also closely correlated with n ; the pseudogap gradually closes as n increases. We established a new phase diagram of PLCCO as a function of n . Different from the x -based one, the new phase diagram shows similar antiferromagnetic and superconducting phases to those of hole doped ones. Our results raise a possibility for absence of disparity between the phase diagrams of electron- and hole-doped cuprates

  16. Electron transport investigation of layered MoO3 oxides doped with different concentrations of Nb2O5 oxide

    International Nuclear Information System (INIS)

    Al-Khawaja, S.; Kasem, M.

    2008-07-01

    The dc and ac electric conductivity has been studied for numerous samples of molybdenum oxide MoO 3 doped with niobium oxide Nb 2 O 5 elaborated via the solid state reactions. By means of the electric resistivity and dielectricity curves obtained as a function of temperature, and according to the dopant concentration, the behaviour of these compounds has been allocated. Most of the investigated samples, which are insulating at room temperature, have been witnessed to exhibit simultaneously two different electric comportments; metallic and semiconducting within the range of low and high temperatures respectively, designated by a critical temperature related to the nature of the material. Both of these behaviours are attributed electronically to ionic conduction mechanism, occurring in the solid material formed upon doping with Nb 2 O 5 , which is utterly diffused into the layered structure of MoO 3 particularly for x≥40% concentrations and accompanied by relaxation in the dielectric function between 5 Hz and 13 M Hz.(Authors)

  17. Evaluation of freestanding boron-doped diamond grown by chemical vapour deposition as substrates for vertical power electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Issaoui, R.; Achard, J.; Tallaire, A.; Silva, F.; Gicquel, A. [LSPM-CNRS (formerly LIMHP), Universite Paris 13, 99, Avenue Jean-Baptiste Clement, 93430 Villetaneuse (France); Bisaro, R.; Servet, B.; Garry, G. [Thales Research and Technology France, Campus de Polytechnique, 1 Avenue Augustin Fresnel, F-91767 Palaiseau Cedex (France); Barjon, J. [GEMaC-CNRS, Universite de Versailles Saint Quentin Batiment Fermat, 45 Avenue des Etats-Unis, 78035 Versailles Cedex (France)

    2012-03-19

    In this study, 4 x 4 mm{sup 2} freestanding boron-doped diamond single crystals with thickness up to 260 {mu}m have been fabricated by plasma assisted chemical vapour deposition. The boron concentrations measured by secondary ion mass spectroscopy were 10{sup 18} to 10{sup 20} cm{sup -3} which is in a good agreement with the values calculated from Fourier transform infrared spectroscopy analysis, thus indicating that almost all incorporated boron is electrically active. The dependence of lattice parameters and crystal mosaicity on boron concentrations have also been extracted from high resolution x-ray diffraction experiments on (004) planes. The widths of x-ray rocking curves have globally shown the high quality of the material despite a substantial broadening of the peak, indicating a decrease of structural quality with increasing boron doping levels. Finally, the suitability of these crystals for the development of vertical power electronic devices has been confirmed by four-point probe measurements from which electrical resistivities as low as 0.26 {Omega} cm have been obtained.

  18. Effect of B, N, Ge, Sn, K doping on electronic-transport properties of (5, 0) zigzag carbon nanotube

    Science.gov (United States)

    Kamalian, Monir; Seyed Jalili, Yousef; Abbasi, Afshin

    2018-04-01

    In this paper the effect of impurity on the electronic properties and quantum conductance of zigzag (5, 0) carbon nanotube have been studied by using the Density Functional Theory (DFT) combined with Non-Equilibrium Green’s Function (NEGF) formalism with TranSIESTA software. The effect of Boron (B), Nitrogen (N), Germanium (Ge), Tin (Sn) and Potassium (K) impurities on the CNT conduction behavior and physical characteristics, like density of states (DOS), band structure, transmission coefficients and quantum conductance was considered and discussed simultaneously. The current‑voltage (I‑V) curves of all the proposed models were studied for comparative study under low-bias conditions. The distinct changes in conductance reported as the positions, number and type of dopants was varied in central region of the CNT between two electrodes at different bias voltages. This suggested conductance enhancement mechanism for the charge transport in the doped CNT at different positions is important for the design of CNT based nanoelectronic devices. The results show that Germanium, Tin and Potassium dopant atoms has increased the conductance of the model manifold than other doping atoms furthermore 10 Boron and 10 Nitrogen dopant atoms showed the amazing property of Negative Differential Resistance (NDR).

  19. Ce-doping effects on electronic structures of Ba0.5Sr0.5TiO3 thin film

    International Nuclear Information System (INIS)

    Wang, S Y; Cheng, B L; Wang, Can; Button, T W; Dai, S Y; Jin, K J; Lu, H B; Zhou, Y L; Chen, Z H; Yang, G Z

    2006-01-01

    In order to clarify the basic reason why Ce doping can dramatically decrease the leakage current in Ba 0.5 Sr 0.5 TiO 3 (BST) as reported in our previous work (Wang et al 2005 J. Phys. D: Appl. Phys. 38 2253), we have employed x-ray photoelectron spectroscopy (XPS) and the optical transmittance technique to study the electronic structure of undoped and 1.0 at% Ce-doped BST (CeBST) films fabricated by pulsed laser deposition. XPS results show that Ce doping has a strong influence on the valence band and core levels of BST films, and that the Fermi level is lowered by about 0.35 eV by Ce doping. Optical transmittance measurements demonstrate that the energy gap is expanded with Ce doping. These Ce-doping effects can induce an increase in the barrier height for the thermionic emission and eventually reduce leakage current in CeBST thin films

  20. First-principles calculations of electronic and optical properties of aluminum-doped β-Ga2O3 with intrinsic defects

    Directory of Open Access Journals (Sweden)

    Xiaofan Ma

    Full Text Available In this manuscript, the effects of intrinsic defects on the electronic and optical properties of aluminum-doped β-Ga2O3 are investigated with first-principles calculations. Four types of defect complexes have been considered: AlGa2O3VO (Al-doped β-Ga2O3 with O vacancy, AlGa2O3VGa (Al-doped β-Ga2O3 with Ga vacancy, AlGa2O3Gai (Al-doped β-Ga2O3 with Ga interstitial and AlGa2O3Oi (Al-doped β-Ga2O3 with O interstitial. The calculation results show that the incorporation of Al into β-Ga2O3 leads to the tendency of forming O interstitial defects. And the bandgap of AlGa2O3 is 4.975 eV, which is a little larger than that of intrinsic β-Ga2O3. When O vacancies exist, a defect energy level is introduced to the forbidden band as a deep donor level, while no defective energy levels occur in the forbidden band with O interstitials. After Al-doped, a slightly blue-shift appears in the intrinsic absorption edge, and an additional absorption peak occurs with O vacancy located in 3.69 eV. Keywords: First-principle calculation, Intrinsic defects, Bandgap, Absorption peak