Sample records for cubic srtio3 doped

  1. Single gap superconductivity in doped SrTiO3


    Thiemann, Markus; Beutel, Manfred H.; Dressel, Martin; Lee-Hone, Nicholas R.; Broun, David M.; Fillis-Tsirakis, Evangelos; Boschker, Hans; Mannhart, Jochen; Scheffler, Marc


    Doped SrTiO$_3$ is a superconducting oxide that features one of the lowest charge carrier densities among all known superconductors. Undoped, semiconducting SrTiO$_3$ exhibits three unoccupied electronic bands, which can be filled successively by doping, making this system an ideal candidate for multiband superconductivity. The increase of charge carrier density is accompanied by the evolution of a superconducting dome in the phase diagram with critical temperature $T_\\mathrm{c}$ of up to 0.4...

  2. Study on electrical properties of Ni-doped SrTiO3 ceramics using ...

    Indian Academy of Sciences (India)


    Abstract. The ceramics, SrTiO3 (ST) and 0⋅4, 0⋅8 atom% Ni doped SrTiO3, were prepared by solid state re- action route. The average grain size of undoped and doped samples was measured and found to be 1⋅2, 1⋅9 and. 3⋅7 µm, respectively. The impedance measurements were conducted at 400–600°C to separate ...

  3. Thermoelectric performance enhancement of SrTiO3 by Pr doping

    KAUST Repository

    Kahaly, M. Upadhyay


    We investigate Pr doping at the Sr site as a possible route to enhance the thermoelectric behavior of SrTiO3-based materials, using first principles calculations in full-potential density functional theory. The effects of the Pr dopant on the local electronic structure and resulting transport properties are compared to common Nb doping. We demonstrate a substantial enhancement of the thermoelectric figure of merit and develop an explanation for the positive effects, which opens new ways for materials optimization by substitutional doping at the perovskite B site. © 2014 the Partner Organisations.

  4. Electronic and optical properties of Cr-, B-doped, and (Cr, B)-codoped SrTiO3 (United States)

    Wu, Jiao; Huang, Wei-Qing; Yang, Ke; Wei, Zeng-Xi; Peng, P.; Huang, Gui-Fang


    Energy band engineering of semiconductors plays a crucial role in exploring high-efficiency visible-light response photocatalysts. Herein, we systematically study the electronic properties and optical response of Cr-, B-doped SrTiO3, and (Cr, B)-codoped SrTiO3 by using first-principles calculations to explore the mechanism for its superior photocatalytic activities in the visible light region. Special emphasis is placed on uncovering the synergy effects of nonmetal B dopant with metal Cr dopant at different cation sites. It is found that the electronic properties and optical absorption of SrTiO3 can be dramatically engineered by mono- or co-doping. In particular, the intermediate levels lying in the bandgap of the codoped SrTiO3 relay on the Cr impurity doped at Sr or Ti cation sites. Moreover, the (Cr@Sr, B@O)-SrTiO3 retains the charge balancing without the generation of unexpected oxygen vacancies, and is more desirable for solar light harvesting due to its higher absorption than others in the entire visible light. The findings can rationalize the available experimental results and are helpful in designing SrTiO3-based photocatalysts with high-efficiency performance.

  5. Performance-Microstructure Relations in Ni/CGO Infiltrated Nb-doped SrTiO3 SOFC Anodes

    DEFF Research Database (Denmark)

    Ramos, Tania; Bernuy-Lopez, Carlos; Reddy Sudireddy, Bhaskar


    Nb-doped SrTiO3 solid oxide fuel cell (SOFC) anodes, infiltrated with CGO/Ni, were investigated by electrochemical impedance spectroscopy (EIS) and high resolution microscopy techniques, upon varying production and testing parameters. The electrochemical analysis involved a combination of distrib......Nb-doped SrTiO3 solid oxide fuel cell (SOFC) anodes, infiltrated with CGO/Ni, were investigated by electrochemical impedance spectroscopy (EIS) and high resolution microscopy techniques, upon varying production and testing parameters. The electrochemical analysis involved a combination...

  6. Synthesis of Non-uniformly Pr-doped SrTiO3 Ceramics and Their Thermoelectric Properties

    KAUST Repository

    Mehdizadeh Dehkordi, Arash


    We demonstrate a novel synthesis strategy for the preparation of Pr-doped SrTiO3 ceramics via a combination of solid state reaction and spark plasma sintering techniques. Polycrystalline ceramics possessing a unique morphology can be achieved by optimizing the process parameters, particularly spark plasma sintering heating rate. The phase and morphology of the synthesized ceramics were investigated in detail using X-ray diffraction, scanning electron microcopy and energy-dispersive X-ray spectroscopy It was observed that the grains of these bulk Pr-doped SrTiO3 ceramics were enhanced with Pr-rich grain boundaries. Electronic and thermal transport properties were also investigated as a function of temperature and doping concentration Such a microstructure was found to give rise to improved thermoelectric properties. Specifically, it resulted in a significant improvement in carrier mobility and the thermoelectric power factor. Simultaneously, it also led to a marked reduction in the thermal conductivity. As a result, a significant improvement (> 30%) in the thermoelectric figure of merit was achieved for the whole temperature range over all previously reported maximum values for SrTiO3-based ceramics. This synthesis demonstrates the steps for the preparation of bulk polycrystalline ceramics of non-uniformly Pr-doped SrTiO3.

  7. Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

    KAUST Repository

    Ozdogan, K.


    We study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-x Nb x O3 (x = 0, 0.125, 0.25, 0.375, and 0.5) by full-potential density functional theory. From the electronic band structures obtained by our ab-initio calculations we determine the dependence of the induced metallicity on the Nb concentration. We obtain a monotonous increase of the carrier density with the Nb concentration. The results are confirmed by experiments for SrTi0.88Nb0.12O3 and SrTi0.8Nb0.2O3, demonstrating the predictive power and limitations of our theoretical approach. We also show that the Seebeck coefficient decreases monotonously with increasing temperature.

  8. Hydrothermal derived nitrogen doped SrTiO3 for efficient visible light driven photocatalytic reduction of chromium(VI). (United States)

    Xing, Guanjie; Zhao, Lanxiao; Sun, Tao; Su, Yiguo; Wang, Xiaojing


    In this work, we report on the synthesis of nitrogen doped SrTiO3 nanoparticles with efficient visible light driven photocatalytic activity toward Cr(VI) by the solvothermal method. The samples are carefully characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, UV-Vis diffuse reflectance spectroscopy and photocatalytic test. It is found that nitrogen doping in SrTiO3 lattice led to an apparent lattice expansion, particle size reduction as well as subsequent increase of Brunner-Emmet-Teller surface area. The visible light absorption edge and intensity can be modulated by nitrogen doping content, which absorption edge extends to about 600 nm. Moreover, nitrogen doping can not only modulate the visible light absorption feature, but also have consequence on the enhancement of charge separation efficiency, which can promote the photocatalytic activity. With well controlled particle size, Brunner-Emmet-Teller surface area, and electronic structure via nitrogen doping, the photocatalytic performance toward Cr(VI) reduction of nitrogen doped SrTiO3 was optimized at initial hexamethylenetetramine content of 2.

  9. Ab initio calculations of doping mechanisms in SrTiO3 (United States)

    Astala, R. K.; Bristowe, P. D.


    A density functional plane-wave pseudopotential method is used to study the formation energy of a number of acceptor- and donor-type defects in SrTiO3 as a function of oxidizing atmosphere and doping levels in the bulk crystal. Of the three donor defects (VO, NbTi and AlSr) and two acceptor defects (NaSr and AlTi) considered in this study, NbTi and NaSr impurities are predicted to have the largest effect on electrical conductivity. The Al impurity is amphoteric and AlTi and AlSr can compensate one another. However, the relative abundance of AlTi and AlSr is found to depend on the oxidizing conditions. In a highly oxidizing environment AlTi is preferred, resulting in p-type material. Therefore, the Al self-compensation mechanism is predicted to be less effective in conditions where the oxygen partial pressure is high.

  10. High photocatalytic activity of V-doped SrTiO3 porous nanofibers produced from a combined electrospinning and thermal diffusion process

    Directory of Open Access Journals (Sweden)

    Panpan Jing


    Full Text Available In this letter, we report a novel V-doped SrTiO3 photocatalyst synthesized via electrospinning followed by a thermal diffusion process at low temperature. The morphological and crystalline structural investigations reveal not only that the V-doped SrTiO3 photocatalyst possesses a uniform, porous, fibrous structure, but also that some V5+ ions are introduced into the SrTiO3 lattice. The photocatalytic capability of V-doped SrTiO3 porous nanofibers was evaluated through photodegrading methyl orange (MO in aqueous solution under artificial UV–vis light. The results indicated that V-doped SrTiO3 porous nanofibers have excellent catalytic efficiency. Furthermore, the excellent catalytic activity was maintained even after five cycle tests, indicating that they have outstanding photocatalytic endurance. It is suggested that the excellent photocatalytic performance of doped SrTiO3 nanofibers is possibly attributed to the V5+ ion doping increasing the light utilization as well as to the outstanding porous features, the excellent component and structure stability.

  11. SrTiO3 Nanocube-Doped Polyaniline Nanocomposites with Enhanced Photocatalytic Degradation of Methylene Blue under Visible Light

    Directory of Open Access Journals (Sweden)

    Syed Shahabuddin


    Full Text Available The present study highlights the facile synthesis of polyaniline (PANI-based nanocomposites doped with SrTiO3 nanocubes synthesized via the in situ oxidative polymerization technique using ammonium persulfate (APS as an oxidant in acidic medium for the photocatalytic degradation of methylene blue dye. Field emission scanning electron microscopy (FESEM, transmission electron microscopy (TEM, thermogravimetric analysis (TGA, X-ray diffraction (XRD, UV–Vis spectroscopy, Brunauer–Emmett–Teller analysis (BET and Fourier transform infrared spectroscopy (FTIR measurements were used to characterize the prepared nanocomposite photocatalysts. The photocatalytic efficiencies of the photocatalysts were examined by degrading methylene blue (MB under visible light irradiation. The results showed that the degradation efficiency of the composite photocatalysts that were doped with SrTiO3 nanocubes was higher than that of the undoped polyaniline. In this study, the effects of the weight ratio of polyaniline to SrTiO3 on the photocatalytic activities were investigated. The results revealed that the nanocomposite P-Sr500 was found to be an optimum photocatalyst, with a 97% degradation efficiency after 90 min of irradiation under solar light.

  12. Ab initio calculations and analysis of chemical bonding in SrTiO3 and SrZrO3 cubic crystals (United States)

    Evarestov, R. A.; Tupitsyn, I. I.; Bandura, A. V.; Alexandrov, V. E.

    The possibility of the different first-principles methods to describe the chemical bonding in SrTiO3 and SrZrO3 cubic crystals is investigated. The local properties of the electronic structure (atomic charges, bond orders, atomic delocalization indexes, and polarization fractions) were calculated with different methods: traditional Mulliken population analysis in LCAO calculations, two projection techniques in plane-wave (PW) calculations, population analysis based on Wannier-type atomic orbitals, and chemical bonding analysis based on the localized Wannier functions for occupied (valence band) LCAO states. All the techniques considered except the traditional Mulliken analysis demonstrate that the ionicity of chemical bonding in SrZrO3 is larger than in SrTiO3, in agreement with the Zr and Ti electronegativities relation and the relative bandgaps observed.

  13. Integrated oxygen sensors based on Mg-doped SrTiO3 fabricated by screen-printing

    DEFF Research Database (Denmark)

    Zheng, H.; Toft Sørensen, O.


    This paper describes the fabrication and testing of Mg-doped SrTiO3 thick-film oxygen sensors with an integrated Pt heater. The results show that the sensor exhibits a PO2 dependence according to R proportional to PO2-1/4 in the considered PO2 range(2.5 x 10(-5) bar ... and recovery time of 1-2 and 50 s respectively. A temperature of 600 degrees C could be reached by a relative low power comsumption of the Pt heater....

  14. Integrated oxygen sensors based on Mg-doped SrTiO3 fabricated by screen-printing

    DEFF Research Database (Denmark)

    Zheng, H.; Sørensen, Ole Toft


    This paper describes the fabrication and testing of Mg-doped SrTiO3 thick-film oxygen sensors with an integrated Pt heater. The results show that the sensor exhibits a P-o2 dependence according to R proportional to p(o2)(-1/4) in the considered P-o2 range(2.5 x 10(-5) bar ...) and a response and recovery time of 1-2 and 50 s, respectively. A temperature of 600 degrees C could be reached by a relative low power consumption of the Pt heater. (C) 2000 Elsevier Science S.A. All rights reserved....

  15. δ-Doping of oxygen vacancies dictated by thermodynamics in epitaxial SrTiO3 films

    Directory of Open Access Journals (Sweden)

    Fengmiao Li


    Full Text Available Homoepitaxial SrTiO3(110 film is grown by molecular beam epitaxy in ultra-high vacuum with oxygen diffusing from substrate as the only oxidant. The resulted oxygen vacancies (VOs are found to be spatially confined within few subsurface layers only, forming a quasi-two-dimensional doped region with a tunable high concentration. Such a δ-function distribution of VOs is essentially determined by the thermodynamics associated with the surface reconstruction, and facilitated by the relatively high growth temperature. Our results demonstrate that it is feasible to tune VOs distribution at the atomic scale by controlling the lattice structure of oxide surfaces.

  16. Electron spin resonance investigation of Mn^{2+} ions and their dynamics in manganese doped SrTiO_3


    Laguta, V. V.; Kondakova, I. V.; Bykov, I. P.; Glinchuk, M. D.; Vilarinho, P M; Tkach, A; L. Jastrabik


    Using electron spin resonance, lattice position and dynamic properties of Mn2+ ions were studied in 0.5 and 2 % manganese doped SrTiO3 ceramics prepared by conventional mixed oxide method. The measurements showed that Mn2+ ions substitute preferably up to 97 % for Sr if the ceramics is prepared with a deficit of Sr ions. Motional narrowing of the Mn2+ ESR spectrum was observed when temperature increases from 120 K to 240-250 K that was explained as a manifestation of off-center position of th...

  17. Major enhancement of the thermoelectric performance in Pr/Nb-doped SrTiO3 under strain

    KAUST Repository

    Amin, B.


    The electronic structure and thermoelectric properties of strained (biaxially and uniaxially) Sr0.95Pr0.05TiO3 and SrTi0.95Nb0.05O3 are investigated in the temperature range from 300 K to 1200 K. Substitutions of Pr at the Sr site and Nb at the Ti site generate n-type doping and thus improve the thermoelectric performance as compared to pristine SrTiO3. Further enhancement is achieved by the application of strain, for example, of the Seebeck coefficient by 21% for Sr0.95Pr0.05TiO3 and 10% for SrTi0.95Nb0.05O3 at room temperature in the case of 5% biaxial strain. At 1200 K, we predict figures of merit of 0.58 and 0.55 for 2.5% biaxially strained Sr0.95Pr0.05TiO3 and SrTi0.95Nb0.05O3 , respectively, which are the highest values reported for rare earth doped SrTiO3.

  18. Tunable photovoltaic effect and solar cell performance of self-doped perovskite SrTiO3

    Directory of Open Access Journals (Sweden)

    K. X. Jin


    Full Text Available We report on the tunable photovoltaic effect of self-doped single-crystal SrTiO3 (STO, a prototypical perovskite-structured complex oxide, and evaluate its performance in Schottky junction solar cells. The photovaltaic characteristics of vacuum-reduced STO single crystals are dictated by a thin surface layer with electrons donated by oxygen vacancies. Under UV illumination, a photovoltage of 1.1 V is observed in the as-received STO single crystal, while the sample reduced at 750 °C presents the highest incident photon to carrier conversion efficiency. Furthermore, in the STO/Pt Schottky junction, a power conversion efficiency of 0.88% was achieved under standard AM 1.5 illumination at room temperature. This work establishes STO as a high-mobility photovoltaic semiconductor with potential of integration in self-powered oxide electronics.

  19. New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO3−δ

    KAUST Repository

    Dehkordi, Arash Mehdizadeh


    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.

  20. Enhancing the Electron Mobility via Delta-Doping in SrTiO3

    Energy Technology Data Exchange (ETDEWEB)

    Kozuka, Y.


    We fabricated high-mobility {delta}-doped structures in SrTiO{sub 3} thin films in order to investigate the low temperature electronic transport properties of confined carriers in this system. An enhancement of the electron mobility above the bulk value was observed as the doped layer thickness decreased. High-field Hall measurements revealed that this mobility enhancement originates from higher-mobility electrons in the undoped clean regions, which have quantum-mechanically broadened from the doped layer. Because of the absence of apparent lattice misfit between the layers, this structure is highly suitable for investigating two-dimensional electron gases in SrTiO{sub 3}

  1. Visible-light-driven photoelectrochemical and photocatalytic performances of Cr-doped SrTiO3/TiO2 heterostructured nanotube arrays


    Zhengbo Jiao; Tao Chen; Jinyan Xiong; Teng Wang; Gongxuan Lu; Jinhua Ye; Yingpu Bi


    Well-aligned TiO2 nanotube arrays have become of increasing significance because of their unique highly ordered array structure, high specific surface area, unidirectional charge transfer and transportation features. However, their poor visible light utilization as well as the high recombination rate of photoexcited electron-hole pairs greatly limited their practical applications. Herein, we demonstrate the fabrication of visible-light-responsive heterostructured Cr-doped SrTiO3/TiO2 nanotube...

  2. Non-volatile gated variable resistor based on doped La2CuO4+δ and SrTiO3 heterostructures (United States)

    Weber, Dieter; Poppe, Ulrich


    Gated variable resistors were manufactured by depositing epitaxial heterostructures of doped La2CuO4+δ and SrTiO3 layers. Their conductance change as function of write current I and write time t followed a simple empirical law of the form ΔG/G = CIAtB. This behavior is in agreement with ionic transport that accelerates exponentially with electrical field strength.

  3. Adsorptive and photocatalytic properties of S-doped SrTiO3 under simulated solar irradiation (United States)

    Huynh, Phu Chi; Le, Vien Minh


    S-doped SrTiO3 (SSTO) nanoparticles were synthesized using the sol-gel method with Sr(NO3)2, n- Ti(OC4H9)4, and Thiourea as precursors. Several analytical techniques including XRD, SEM, BET were employed to characterize the physical properties of the product. High crystalline perovskite of SSTO powder was synthesized at 700 °C calcined temperature with the specific surface area of 20.71 m2/g. UV-Vis diffuse reflectance spectra results of STO and 5SSTO present band gap energy of 3.2 and 2.95 eV respectively. Photocatalytic activity was determined through the photodegradation of Congo Red at the initial concentrations of 70 ppm under simulated solar irradiation using 26W mercury lamp (120V - 60Hz). The decompositions of approximately 90.4% was obtained after 210 minutes of illumination. The photocatalyst was stable in aqueous solution that its photocatalytic activity was merely reduced by 9% even after 4 reusing iterations.

  4. Direct Local Measurement of the Superconducting Energy Gap of Nb doped SrTiO3 (United States)

    Ha, Jeonghoon; Khalsa, Guru; Natterer, Fabian; Baek, Hongwoo; Cullen, William G.; Kuk, Young; Stroscio, Joseph A.

    Strontium titanate (STO) is a perovskite metal oxide insulator that can be electron doped by substitution of Ti or Sr sites with Nb or La, respectively, or by oxygen vacancies. When doped to high electron densities with concentration in the range of 5x1019 cm- 3 to 2x1020 cm-3, STO becomes superconducting with a transition temperature below 400 mK, at a value highly dependent on the doping concentration. Previous observations were made on bulk crystals or films of doped STO by measuring the transitions in resistivity, magnetic susceptibility or thermal conductivity as a function of temperature or magnetic field. In this work, we use an ultra-low temperature scanning tunneling microscope(STM) to investigate the local electronic structure of the surface of Nb doped STO. The tunneling spectra taken at a sample temperature of ~10 mK reveal a BCS energy gap of Δ = 40 ueV. Temperature and magnetic field dependent tunneling measurements show a critical temperature of ~250 mK and upper critical field of ~0.07 T. This is the first report of direct measurement of superconducting STO using an STM.

  5. Chemistry, growth kinetics, and epitaxial stabilization of Sn2+ in Sn-doped SrTiO3 using (CH36Sn2 tin precursor

    Directory of Open Access Journals (Sweden)

    Tianqi Wang


    Full Text Available PbTiO3-based ferroelectrics have impressive electroactive properties, originating from the Pb2+ 6s2 electron lone-pair, which cause large elastic distortion and electric polarization due to cooperative pseudo Jahn-Teller effect. Recently, tin-based perovskite oxide (SnTiO3 containing Sn2+ and a chemistry similar to that of the 6s2 lone-pair has been identified as a thermally stable, environmentally friendly substitute for PbTiO3-based ferroelectrics. However experimental attempts to stabilize Sn2+ on the A-site of perovskite ATiO3 have so far failed. In this work, we report on the growth of atomically smooth, epitaxial, and coherent Sn-alloyed SrTiO3 films on SrTiO3 (001 substrates using a hybrid molecular beam epitaxy approach. With increasing Sn concentration, the out-of-plane lattice parameter first increases in accordance with the Vegard’s law and then decreases for Sn(Sr+Ti+Sn at. % ratio > 0.1 due to the incorporation of Sn2+ at the A-site. Using a combination of high-resolution X-ray photoelectron spectroscopy and density functional calculations, we show that while majority of Sn is on the B-site, there is a quantitatively unknown fraction of Sn being consistent with the A-site occupancy making SrTiO3 polar. A relaxor-like ferroelectric local distortion with monoclinic symmetry, induced by A-site Sn2+, was observed in Sn-doped SrTiO3 with Sn(Sr+Ti+Sn at. % ratio = 0.1 using optical second harmonic generation measurements. The role of growth kinetics on the stability of Sn2+ in SrTiO3 is discussed.

  6. Adsorption of water on (0 0 1) surface of SrTiO 3 and SrZrO 3 cubic perovskites: Hybrid HF-DFT LCAO calculations (United States)

    Evarestov, R. A.; Bandura, A. V.; Alexandrov, V. E.


    Hybrid HF-DFT LCAO simulations of (0 0 1) surface properties and water adsorption on cubic SrZrO 3 and SrTiO 3 perovskites are performed using a single slab model framework. Three slab models with the different surface termination including 6-11 atomic planes were used for calculations. The effect of the symmetry reduction and the role of an extra atomic layer basis set have been considered for the bare surface slabs. The optimized structures and water adsorption energies have been calculated for the various types of surface coverage. It is shown that the formation of H-bonds between the water hydrogens and surface oxygens, as well as between the water molecules themselves, controls the structure of the water adsorption layers on the perovskite surfaces. Obtained results indicate that the dissociative type of water adsorption is the energetically more favourable for SrO-terminated zirconate surface than for similar titanate surface giving evidence to the more basic nature of oxygen atoms on SrO-terminated SrZrO 3 surface.

  7. Preparation of Compensation Ions Codoped SrTiO3:Pr3+ Red Phosphor with the Sol-Gel Method and Study of Its Luminescence Enhancement Mechanism

    Directory of Open Access Journals (Sweden)

    Dan Guo


    Full Text Available SrTiO3:Pr3+ is the most representative titanate matrix red phosphor for field emission display (FED. The red luminous efficiency of SrTiO3:Pr3+ will be greatly improved after the compensation ions codoping, so SrTiO3:Pr3+ red phosphor has been a research focus at home and abroad. SrTiO3:Pr3+, SrTiO3:Pr3+, Mg2+, and SrTiO3:Pr3+, Al3+ phosphors are synthesized by a new sol-gel method. Crystal structure, spectral characteristics, and luminescence enhancement mechanism of the sample were studied by XRD and PL spectra. The results showed that after co-doped, SrTiO3:Pr3+ phosphor is single SrTiO3 cubic phase, the main emission front is located at 614 nm, corresponding to Pr3+ ions 1D2→3H4 transition emission. SrTiO3:Pr3+, Mg2+ and SrTiO3:Pr3+, Al3+ phosphor luminescence intensity is enhanced, but the main luminescence mechanism is not changed. Acceptor impurity x = Mg2+, Al3+ will replace Ti bit after being doped into the crystal lattice to form XTi- charge compensation corresponding defect centers PrSr+ to reduce the demand of Sr2+ or Ti3+ vacancy. While Sr-doped Pr will make lattice distortion and transition energy of 4f-5d is very sensitive to crystal electric field changes around Pr atom. Doping different impurities will make electric field distribution around the icon have a different change. It increases energy transfer of 4f-5d transition and improves the luminous intensity of SrTiO3:Pr3+ red phosphor.

  8. Large thermoelectric power factor in Pr-doped SrTiO3-δ ceramics via grain-boundary-induced mobility enhancement

    KAUST Repository

    Mehdizadeh Dehkordi, Arash


    We report a novel synthesis strategy to prepare high-performance bulk polycrystalline Pr-doped SrTiO3 ceramics. A large thermoelectric power factor of 1.3 W m-1 K-1 at 500 °C is achieved in these samples. In-depth investigations of the electronic transport and microstructure suggest that this significant improvement results from a substantial enhancement in carrier mobility originating from the formation of Pr-rich grain boundaries. This work provides new directions to higher performance oxide thermoelectrics as well as possibly other properties and applications of this broadly functional perovskite material. © 2014 American Chemical Society.

  9. Non-volatile gated variable resistor based on doped La2CuO4+delta and SrTiO3 heterostructures


    Weber, D.; Poppe, U.


    Gated variable resistors were manufactured by depositing epitaxial heterostructures of doped La2CuO4+delta and SrTiO3 layers. Their conductance change as function of write current I and write time t followed a simple empirical law of the form Delta G/G = CI(A)t(B). This behavior is in agreement with ionic transport that accelerates exponentially with electrical field strength. (C) 2012 American Institute of Physics. [

  10. Significant enhancement in thermoelectric properties of polycrystalline Pr-doped SrTiO3−δ ceramics originating from nonuniform distribution of Pr dopants

    KAUST Repository

    Dehkordi, Arash Mehdizadeh


    Recently, we have reported a significant enhancement ( >70% at 500 °C) in the thermoelectric power factor (PF) of bulk polycrystalline Pr-doped SrTiO3 ceramics employing a novel synthesis strategy which led to the highest ever reported values of PF among doped polycrystalline SrTiO3. It was found that the formation of Pr-rich grain boundary regions gives rise to an enhancement in carrier mobility. In this Letter, we investigate the electronic and thermal transport in Sr1− x Pr x TiO3 ceramics in order to determine the optimum doping concentration and to evaluate the overall thermoelectric performance. Simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity in these samples resulted in more than 30% improvement in the dimensionless thermoelectric figure of merit (ZT) for the whole temperature range over all previously reported maximum values. Maximum ZT value of 0.35 was obtained at 500 °C.

  11. Signature of enhanced spin-orbit interaction in the magnetoresistance of LaTiO3/SrTiO3 interfaces on δ doping (United States)

    Das, Shubhankar; Hossain, Z.; Budhani, R. C.


    We present a study of modulation of spin-orbit interaction (SOI) at the interface of LaTiO3/SrTiO3 by δ doping with an isostructural ferromagnetic perovskite LaCoO3. The sheet carrier density at the interface decreases exponentially with δ -doping thickness. We have explored that the spin-orbit scattering time (τs o) can be decreased by nearly three orders of magnitude, whereas the inelastic scattering time (τi) remains almost constant with δ -doping thickness. We have also observed that the τi varies almost inversely proportional to temperature and τs o remains insensitive to temperature, which suggest that the spin relaxation in these interfaces follows D'yakonov-Perel mechanism. The observed in-plane anisotropic magnetoresistance is attributed to the mixing of the spin-up and spin-down states of the d band at the Fermi level due to SOI.

  12. Nickel-ceria infiltrated Nb-doped SrTiO3 for low temperature SOFC anodes and analysis on gas diffusion impedance

    DEFF Research Database (Denmark)

    Abdul Jabbar, Mohammed Hussain; Høgh, Jens Valdemar Thorvald; Jacobsen, Torben


    This report concentrates on high performance anodes appropriate for SOFCs operating at low temperatures (400–600 °C). Symmetrical cells were made by screen printing of Nb-doped SrTiO3 (STN) on both sides of a dense ScYSZ electrolyte. Backbones I (36% porosity) and II (47% porosity) were obtained ....... The gas diffusion impedance was investigated with He and N2 in H2/H2O gas mixtures and by varying the H2O content at 655 °C. This study indicated that the gas diffusion in these electrodes are influenced by Knudsen and bulk diffusion.......This report concentrates on high performance anodes appropriate for SOFCs operating at low temperatures (400–600 °C). Symmetrical cells were made by screen printing of Nb-doped SrTiO3 (STN) on both sides of a dense ScYSZ electrolyte. Backbones I (36% porosity) and II (47% porosity) were obtained...

  13. Carrier-Controlled Ferromagnetism in SrTiO_{3}

    Directory of Open Access Journals (Sweden)

    Pouya Moetakef


    Full Text Available Magnetotransport and superconducting properties are investigated for uniformly La-doped SrTiO_{3} films and GdTiO_{3}/SrTiO_{3} heterostructures, respectively. GdTiO_{3}/SrTiO_{3} interfaces exhibit a high-density 2D electron gas on the SrTiO_{3} side of the interface, while, for the SrTiO_{3} films, carriers are provided by the dopant atoms. Both types of samples exhibit ferromagnetism at low temperatures, as evidenced by a hysteresis in the magnetoresistance. For the uniformly doped SrTiO_{3} films, the Curie temperature is found to increase with doping and to coexist with superconductivity for carrier concentrations on the high-density side of the superconducting dome. The Curie temperature of the GdTiO_{3}/SrTiO_{3} heterostructures scales with the thickness of the SrTiO_{3} quantum well. The results are used to construct a stability diagram for the ferromagnetic and superconducting phases of SrTiO_{3}.

  14. Influence of Strain on the Thermoelectric Properties of electron-doped SrTiO3 Thin Films (United States)

    Sarantopoulos, Alexandros; Ferreiro-Vila, Elias; Magen, Cesar; Aguirre, Myriam H.; Pardo, Victor; Rivadulla, Francisco


    The discovery of a two dimensional electron gas with high mobility at the interface between insulating LaAlO3 / SrTiO3 (LAO/STO) opened the possibility of fabricating functional devices based on this interfacial effect. Therefore, it is important to study the influence of the growth parameters on the properties of the constituent materials. Here, we demonstrate that the thermoelectric properties of epitaxial thin films of Nb:STO can be finely tuned by adjusting the growth conditions in a PLD system. By growing the sample on different substrates, we demonstrate that the amount of vacancies depends on the degree of epitaxial compressive stress. The vacancies produced lead to impurity scattering at low temperatures. We show that the magnetoresistance response, and non-linear behavior of the Hall effect, characteristic of LAO/STO interfaces, can be reproduced in thin films of Nb:STO with a controlled number of vacancies. Moreover, we show that the Seebeck coefficient is a valid tool to obtain information about the degeneracy of the electronic band structure. We acknowledge support from the ERC 2D Therms project.

  15. Effect of oxygen vacancy distribution on the thermoelectric properties of La-doped SrTiO3 epitaxial thin films

    KAUST Repository

    Sarath Kumar, S. R.


    A detailed study of the role of oxygen vacancies in determining the effective mass and high temperature (300–1000 K) thermoelectricproperties of La-doped epitaxial SrTiO3 thin films is presented. It is observed that at intermediate temperatures, a transition from degenerate to non-degenerate behavior is observed in the Seebeck coefficient, but not electrical conductivity, which is attributed to heterogeneous oxygen non-stoichiometry. Heikes formula is found to be invalid for the films with oxygen vacancies. By fitting the spectroscopic ellipsometry (SE) data, obtained in the range 300–2100 nm, using a Drude-Lorentz dispersion relation with two Lorentz oscillators, the electrical and optical properties of the films are extracted. Using the excellent agreement between the transport properties extracted from SE modeling and direct electrical measurements, we demonstrate that an increase in concentration of oxygen vacancies results in a simultaneous increase of both carrier concentration and electron effective mass, resulting in a higher power factor.

  16. Strong Energy-momentum Dispersion of Phonon Dressed Carriers in the Lightly Doped Band Insulator SrTiO3

    Energy Technology Data Exchange (ETDEWEB)

    Meevasana, Warawat


    Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises how this compares with doped band insulators where similar el-ph couplings should be at work. The archetypical case is the perovskite SrTiO{sub 3} (STO), well known for its giant dielectric constant of 10000 at low temperature, exceeding that of La{sub 2}CuO{sub 4} by a factor of 500. Based on this fact, it has been suggested that doped STO should be the archetypical bipolaron superconductor. Here we report an ARPES study from high-quality surfaces of lightly doped SrTiO{sub 3}. Comparing to lightly doped Mott insulators, we find the signatures of only moderate electron-phonon coupling: a dispersion anomaly associated with the low frequency optical phonon with a {lambda}{prime} {approx} 0.3 and an overall bandwidth renormalization suggesting an overall {lambda}{prime} {approx} 0.7 coming from the higher frequency phonons. Further, we find no clear signatures of the large pseudogap or small polaron phenomena. These findings demonstrate that a large dielectric constant itself is not a good indicator of el-ph coupling and highlight the unusually strong effects of the el-ph coupling in doped Mott insulators.

  17. Spin injection and detection in lanthanum- and niobium-doped SrTiO3 using the Hanle technique

    KAUST Repository

    Han, Wei


    There has been much interest in the injection and detection of spin-polarized carriers in semiconductors for the purposes of developing novel spintronic devices. Here we report the electrical injection and detection of spin-polarized carriers into Nb-doped strontium titanate single crystals and La-doped strontium titanate epitaxial thin films using MgO tunnel barriers and the three-terminal Hanle technique. Spin lifetimes of up to ∼100 ps are measured at room temperature and vary little as the temperature is decreased to low temperatures. However, the mobility of the strontium titanate has a strong temperature dependence. This behaviour and the carrier doping dependence of the spin lifetime suggest that the spin lifetime is limited by spin-dependent scattering at the MgO/strontium titanate interfaces, perhaps related to the formation of doping induced Ti 3+. Our results reveal a severe limitation of the three-terminal Hanle technique for measuring spin lifetimes within the interior of the subject material. © 2013 Macmillan Publishers Limited. All rights reserved.

  18. Contrasting conduction mechanisms of two internal barrier layer capacitors: (Mn, Nb)-doped SrTiO3 and CaCu3Ti4O12 (United States)

    Tsuji, Kosuke; Chen, Wei-Ting; Guo, Hanzheng; Lee, Wen-Hsi; Guillemet-Fritsch, Sophie; Randall, Clive A.


    The d.c. conduction is investigated in the two different types of internal barrier layer capacitors, namely, (Mn, Nb)-doped SrTiO3 (STO) and CaCu3Ti4O12 (CCTO). Scanning electron microscopy (SEM) and Capacitance - Voltage (C-V) analysis are performed to estimate the effective electric field at a grain boundary, EGB. Then, the d.c. conduction mechanism is discussed based on the J (Current density)-EGB characteristics. Three different conduction mechanisms are successively observed with the increase of EGB in both systems. In (Mn, Nb)-doped STO, non-linear J-EGB characteristics is temperature dependent at the intermediate EGB and becomes relatively insensitive to the temperature at the higher EGB. The J- EGB at each regime is explained by the Schottky emission (SE) followed by Fowler-Nordheim (F-N) tunneling. Based on the F-N tunneling, the breakdown voltage is then scaled by the function of the depletion layer thickness and Schottky barrier height at the average grain boundary. The proposed function shows a clear linear relationship with the breakdown. On the other hand, F-N tunneling was not observed in CCTO in our measurement. Ohmic, Poole-Frenkel (P-F), and SE are successively observed in CCTO. The transition point from P-F and SE depends on EGB and temperature. A charge-based deep level transient spectroscopy study reveals that 3 types of trap states exist in CCTO. The trap one with Et ˜ 0.65 eV below the conduction band is found to be responsible for the P-F conduction.

  19. Conductivity of SrTiO3 based oxides in the reducing atmosphere at high temperature

    DEFF Research Database (Denmark)

    Hashimoto, Shin-Ichi; Poulsen, Finn Willy; Mogensen, Mogens Bjerg


    The conductivities of several donor-doped SrTiO3 based oxides, which were prepared in air, were studied in a reducing atmosphere at high temperature. The conductivities of all specimens increased slowly with time at 1000 degrees C in 9% H-2/N-2, even after 100 h. Nb-doped SrTiO3 showed relatively...... at 500-800 degrees C, while that of La-doped SrTiO3 dropped immediately on exposure to air. The conduction behavior of Nb-doped SrTiO3 was explained by reduction of Ti4+ and/or Nb5+ and the relatively slow oxygen diffusibility. (c) 2006 Elsevier B.V. All rights reserved.......The conductivities of several donor-doped SrTiO3 based oxides, which were prepared in air, were studied in a reducing atmosphere at high temperature. The conductivities of all specimens increased slowly with time at 1000 degrees C in 9% H-2/N-2, even after 100 h. Nb-doped SrTiO3 showed relatively...... fast reduction and high conductivity compared with the other SrTiO3 based oxides. The conductivity of Nb-doped SrTiO3 was ca. 50 S cm(-1) at 500 degrees C after reduction at 1200 degrees C. After strong reduction, the conductivity of Nb-doped SrTiO3 was almost independent of the oxygen partial pressure...

  20. Fermi Surface and Superconductivity in Low-Density High-Mobility Delta-Doped SrTiO3

    Energy Technology Data Exchange (ETDEWEB)

    Kim, M.


    The electronic structure of low-density n-type SrTiO{sub 3} {delta}-doped heterostructures is investigated by angular dependent Shubnikov-de Haas oscillations. In addition to a controllable crossover from a three- to two-dimensional Fermi surface, clear beating patterns for decreasing dopant layer thicknesses are found. These indicate the lifting of the degeneracy of the conduction band due to subband quantization in the two-dimensional limit. Analysis of the temperature-dependent oscillations shows that similar effective masses are found for all components, associated with the splitting of the light electron pocket. The dimensionality crossover in the superconducting state is found to be distinct from the normal state, resulting in a rich phase diagram as a function of dopant layer thickness.

  1. Characterization of SrTiO3 target doped with Co ions, SrCoxTi1-xO3-δ, and their thin films prepared by pulsed laser ablation (PLA) in water for visible light response (United States)

    Ichihara, Fumihiko; Murata, Yuma; Ono, Hiroshi; Choo, Cheow-keong; Tanaka, Katsumi


    SrTiO3 (STO) and Co-doped SrTiO3 (Co-STO) sintered targets were synthesized and were Ar+ sputtered to elucidate the charge compensation effect between Sr, Ti and Co cations following the reduction by oxygen desorption. Following exposure of the Ar+-sputtered target to the air, charge transfer reactions occurred among Co2+, Ti3+, O2- and Sr2+ species which were studied by their XPS spectra. Pulsed laser ablation (PLA) of these targets was carried out in water to prepare the nanoparticles which could be supplied to the thin films with much higher surface reactivity expected for photocatalytic reactions. The roles of Co ions were studied for the stoichiometry and crystallinity of the nanoparticles which constituted the thin films. Photo-degradation of methylene blue was carried out on the PLA thin films under very weak visible light at 460 nm. The PLA thin films showed the photocatalytic activities, which were enhanced by the presence of Co ions. Such the effect of Co ions was considered from viewpoint of the d-d transition and the charge-transfer between Co ions and the ligand oxygen.

  2. Impulse voltage control of continuously tunable bipolar resistive switching in Pt/Bi0.9Eu0.1FeO3/Nb-doped SrTiO3 heterostructures (United States)

    Wei, Maocai; Liu, Meifeng; Wang, Xiuzhang; Li, Meiya; Zhu, Yongdan; Zhao, Meng; Zhang, Feng; Xie, Shuai; Hu, Zhongqiang; Liu, Jun-Ming


    Epitaxial Bi0.9Eu0.1FeO3 (BEFO) thin films are deposited on Nb-doped SrTiO3 (NSTO) substrates by pulsed laser deposition to fabricate the Pt/BEFO/NSTO (001) heterostructures. These heterostructures possess bipolar resistive switching, where the resistances versus writing voltage exhibits a distinct hysteresis loop and a memristive behavior with good retention and anti-fatigue characteristics. The local resistive switching is confirmed by the conductive atomic force microscopy (C-AFM), suggesting the possibility to scale down the memory cell size. The observed memristive behavior could be attributed to the ferroelectric polarization effect, which modulates the height of potential barrier and width of depletion region at the BEFO/NSTO interface. The continuously tunable resistive switching behavior could be useful to achieve non-volatile, high-density, multilevel random access memory with low energy consumption.

  3. Ferroelectric domain structures of epitaxial CaBi2Nb2O9 thin films on single crystalline Nb doped (1 0 0) SrTiO3 substrates (United States)

    Ahn, Yoonho; Seo, Jeong Dae; Son, Jong Yeog


    Epitaxial CaBi2Nb2O9 (CBNO) thin films were deposited on Nb-doped SrTiO3 substrates. The CBNO thin films as a lead-free ferroelectric material exhibit a good ferroelectric property with the remanent polarization of 10.6 μC/cm2. In the fatigue resistance test, the CBNO thin films have no degradation in polarization up to 1×1012 switching cycles, which is applicable for non-volatile ferroelectric random access memories (FeRAMs). Furthermore, piezoresponse force microscopy study (PFM) reveals that the CBNO thin films have larger ferroelectric domain structures than those of PbTiO3 thin films. From the Landau, Lifshiftz, and Kittel's scaling law, it is inferred that the domain wall energy of CBNO thin films is probably very similar to that of the PbTiO3 thin films.

  4. Carrier tuning the metal-insulator transition of epitaxial La0.67Sr0.33MnO3 thin film on Nb doped SrTiO3 substrate

    Directory of Open Access Journals (Sweden)

    J. M. Zhan


    Full Text Available La0.67Sr0.33MnO3 (LSMO thin films were deposited on (001SrTiO3(STO and n-type doped Nb:SrTiO3(NSTO single crystal substrates respectively. The metal to insulator transition temperature(TMI of LSMO film on NSTO is lower than that on STO, and the TMI of LSMO can be tuned by changing the applied current in the LSMO/NSTO p-n junction. Such behaviors were considered to be related to the carrier concentration redistribution in LSMO film caused by the change of depletion layer thickness in p-n junction which depends greatly on the applied electric field. The phenomenon could be used to configure artificial devices and exploring the underlying physics.

  5. Concurrent La and A-Site Vacancy Doping Modulates the Thermoelectric Response of SrTiO3: Experimental and Computational Evidence. (United States)

    Azough, Feridoon; Jackson, Samuel S; Ekren, Dursun; Freer, Robert; Molinari, Marco; Yeandel, Stephen R; Panchmatia, Pooja M; Parker, Stephen C; Maldonado, David Hernandez; Kepaptsoglou, Demie M; Ramasse, Quentin M


    To help understand the factors controlling the performance of one of the most promising n-type oxide thermoelectric SrTiO3, we need to explore structural control at the atomic level. In Sr1-xLa2x/3TiO3 ceramics (0.0 ≤ x ≤ 0.9), we determined that the thermal conductivity can be reduced and controlled through an interplay of La-substitution and A-site vacancies and the formation of a layered structure. The decrease in thermal conductivity with La and A-site vacancy substitution dominates the trend in the overall thermoelectric response. The maximum dimensionless figure of merit is 0.27 at 1070 K for composition x = 0.50 where half of the A-sites are occupied with La and vacancies. Atomic resolution Z-contrast imaging and atomic scale chemical analysis show that as the La content increases, A-site vacancies initially distribute randomly (x site vacancies contributes to a nonuniform distribution of atomic scale features. This combination induces temperature stable behavior in the material and reduces thermal conductivity, an important route to enhancement of the thermoelectric performance. A computational study confirmed that the thermal conductivity of SrTiO3 is lowered by the introduction of La and A-site vacancies as shown by the experiments. The modeling supports that a critical mass of A-site vacancies is needed to reduce thermal conductivity and that the arrangement of La, Sr, and A-site vacancies has a significant impact on thermal conductivity only at high La concentration.

  6. Real-time monitoring of the structure of ultrathin Fe3O4 films during growth on Nb-doped SrTiO3(001) (United States)

    Kuschel, O.; Spiess, W.; Schemme, T.; Rubio-Zuazo, J.; Kuepper, K.; Wollschläger, J.


    In this work, thin magnetite films were deposited on SrTiO3 via reactive molecular beam epitaxy at different substrate temperatures. The growth process was monitored in-situ during deposition by means of x-ray diffraction. While the magnetite film grown at 400 °C shows a fully relaxed vertical lattice constant already in the early growth stages, the film deposited at 270 °C exhibits a strong vertical compressive strain and relaxes towards the bulk value with increasing film thickness. Furthermore, a lateral tensile strain was observed under these growth conditions although the inverse behavior is expected due to the lattice mismatch of -7.5%. Additionally, the occupancy of the A and B sublattices of magnetite with tetrahedral and octahedral sites was investigated showing a lower occupancy of the A sites compared to an ideal inverse spinel structure. The occupation of A sites decreases for a higher growth temperature. Thus, we assume a relocation of the iron ions from tetrahedral sites to octahedral vacancies forming a deficient rock salt lattice.

  7. Quasi-Two-Dimensional Electron Gas Behavior in Doped LaAlO3 Thin Films on SrTiO3 Substrates (United States)


    inhomogeneities and ferromagnetism at the LAO/ STO interface have been predicted in theory and reported by some.6,8,9 Through doping with local magnetic moments on... hysteresis in the Tm doped films was not statistically significant down to 7 K. XMCD measurements, however, detected a significant magnetic response...ceptibility of approximately 3 cm3/mol. The dichroism sug- gests a paramagnetic response as no significant hysteresis was observed and the susceptibility is

  8. Lead-free epitaxial ferroelectric material integration on semiconducting (100) Nb-doped SrTiO3 for low-power non-volatile memory and efficient ultraviolet ray detection (United States)

    Kundu, Souvik; Clavel, Michael; Biswas, Pranab; Chen, Bo; Song, Hyun-Cheol; Kumar, Prashant; Halder, Nripendra N.; Hudait, Mantu K.; Banerji, Pallab; Sanghadasa, Mohan; Priya, Shashank


    We report lead-free ferroelectric based resistive switching non-volatile memory (NVM) devices with epitaxial (1-x)BaTiO3-xBiFeO3 (x = 0.725) (BT-BFO) film integrated on semiconducting (100) Nb (0.7%) doped SrTiO3 (Nb:STO) substrates. The piezoelectric force microscopy (PFM) measurement at room temperature demonstrated ferroelectricity in the BT-BFO thin film. PFM results also reveal the repeatable polarization inversion by poling, manifesting its potential for read-write operation in NVM devices. The electroforming-free and ferroelectric polarization coupled electrical behaviour demonstrated excellent resistive switching with high retention time, cyclic endurance, and low set/reset voltages. X-ray photoelectron spectroscopy was utilized to determine the band alignment at the BT-BFO and Nb:STO heterojunction, and it exhibited staggered band alignment. This heterojunction is found to behave as an efficient ultraviolet photo-detector with low rise and fall time. The architecture also demonstrates half-wave rectification under low and high input signal frequencies, where the output distortion is minimal. The results provide avenue for an electrical switch that can regulate the pixels in low or high frequency images. Combined this work paves the pathway towards designing future generation low-power ferroelectric based microelectronic devices by merging both electrical and photovoltaic properties of BT-BFO materials.

  9. Sintering and Electrical Characterization of La and Nb Co‐doped SrTiO3 Electrode Materials for Solid Oxide Cell Applications

    DEFF Research Database (Denmark)

    Sudireddy, Bhaskar Reddy; Agersted, Karsten


    Single‐phase lanthanum and niobium co‐doped strontium titanate (Sr1–3x/2LaxTi0.9Nb0.1O3; x = 0–0.02) ceramics were prepared. Dilatometry in reducing atmosphere showed an increase in the sintering rate and sintered density with an increase in La amount. Microscopy of fractured surfaces of sintered...

  10. Effects of doping on ferroelectric properties and leakage current behavior of KNN-LT-LS thin films on SrTiO3 substrate (United States)

    Abazari, M.; Safari, A.


    We report the effects of Ba, Ti, and Mn dopants on ferroelectric polarization and leakage current of (K0.44Na0.52Li0.04)(Nb0.84Ta0.1Sb0.06)O3 (KNN-LT-LS) thin films deposited by pulsed laser deposition. It is shown that donor dopants such as Ba2+, which increased the resistivity in bulk KNN-LT-LS, had an opposite effect in the thin film. Ti4+ as an acceptor B-site dopant reduces the leakage current by an order of magnitude, while the polarization values showed a slight degradation. Mn4+, however, was found to effectively suppress the leakage current by over two orders of magnitude while enhancing the polarization, with 15 and 23 μC/cm2 remanent and saturated polarization, whose values are ˜70% and 82% of the reported values for bulk composition. This phenomenon has been associated with the dual effect of Mn4+ in KNN-LT-LS thin film, by substituting both A- and B-site cations. A detailed description on how each dopant affects the concentrations of vacancies in the lattice is presented. Mn-doped KNN-LT-LS thin films are shown to be a promising candidate for lead-free thin films and applications.

  11. The effect of Rhδ+ dopant in SrTiO3 on the active oxidation state of co-catalytic Pt nanoparticles in overall water splitting

    NARCIS (Netherlands)

    Zoontjes, M.G.C.; Han, Kai; Han, K.; Huijben, Mark; van der Wiel, Wilfred Gerard; Mul, Guido


    We report on the oxidation state of Pt nanoparticles when deposited on SrTiO3 or Rh-doped SrTiO3 under realistic solar water-splitting conditions. The oxidation state was investigated using state-of-the-art analysis of the reaction in a continuously stirred tank reactor (CSTR) connected to a micro

  12. Effect of manganese doping on remnant polarization and leakage current in (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.10,Sb0.06)O3 epitaxial thin films on SrTiO3 (United States)

    Abazari, M.; Akdoǧan, E. K.; Safari, A.


    Single phase, epitaxial, ⟨001⟩ oriented, undoped and 1mol% Mn-doped (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.10,Sb0.06)O3 thin films of 400nm thickness were synthesized on SrRuO3 coated SrTiO3. Such films exhibit well saturated hysteresis loops and have a spontaneous polarization (Ps) of 10μC /cm2, which is a 150% higher over the Ps of the undoped composition. The coercive field of 1mol% Mn doped films is 13kV/cm. Mn-doping results in three orders of magnitude decrease in leakage current above 50kV/cm electric field, which we attribute to the suppression of intrinsic p-type conductivity of undoped films by Mn donors.

  13. LCAO calculations of SrTiO3 nanotubes (United States)

    Evarestov, Robert; Bandura, Andrei


    The large-scale first-principles simulation of the structure and stability of SrTiO3 nanotubes is performed for the first time using the periodic PBE0 LCAO method. The initial structures of the nanotubes have been obtained by the rolling up of the stoichiometric SrTiO3 slabs consisting of two or four alternating (001) SrO and TiO2 atomic planes. Nanotubes (NTs) with chiralities (n,0) and (n,n) have been studied. Two different NTs were constructed for each chirality: (I) with SrO outer shell, and (II) with TiO2 outer shell. Positions of all atoms have been optimized to obtain the most stable NT structure . In the majority of considered cases the inner or outer TiO2 shells of NT undergo a considerable reconstruction due to shrinkage or stretching of interatomic distances in the initial cubic perovskite structure. There were found two types of surface reconstruction: (1) breaking of Ti-O bonds with creating of Ti = O titanyl groups in outer surface; (2) inner surface folding due to Ti-O-Ti bending. Based on strain energy calculations the largest stability was found for (n,0) NTs with TiO2 outer shell.

  14. Morphology-Controlled Synthesis Of SrTiO3 Nanocube By Capping Agent-Assisted Solvothermal Method

    Directory of Open Access Journals (Sweden)

    Yulia Eka Putri


    Full Text Available The synthesis of SrTiO3 nanocubes have been carried out by solvothermal process using cetyl trimethyl ammonium bromide (CTAB as capping agent to control the particles morphology. The condition of the synthesis was obtained at 160 ºC for 24 hours with molar ratio of SrTiO3 and capping agent was 1 : 1. The X-ray diffraction (XRD pattern shows that SrTiO3 adopts a perovskite structure with a higher intensity of 110 at 2q:32.33º and the crystallite size calculated from FWHM was found to be 41 nm. Fourier transform infrared (FTIR spectrum shows a shift in particular absorption band attributed the interaction between SrTiO3 particles surface and the head group of CTAB molecules. Transmission electron microscopy (TEM image shows the cubic-like particles of SrTiO3, this indicatesthat CTAB successfully functions as capping agent on the synthesis of SrTiO3.

  15. Phonon mechanism in the most dilute superconductor n-type SrTiO3. (United States)

    Gor'kov, Lev P


    Superconductivity of n-doped SrTiO3, which remained enigmatic for half a century, is treated as a particular case of nonadiabatic phonon pairing. Motivated by experiment, we suggest the existence of the mobility edge at some dopant concentration. The itinerant part of the spectrum consists of three conduction bands filling by electrons successively. Each subband contributes to the superconducting instability and exhibits a gap in its energy spectrum at low temperatures. We argue that superconductivity of n-doped SrTiO3 results from the interaction of electrons with several longitudinal (LO) optical phonons with frequencies much larger than the Fermi energy. Immobile charges under the mobility edge threshold increase the "optical" dielectric constant far above that in clean SrTiO3 placing control on the electron-LO phonon interaction. TC initially grows as density of states at the Fermi surface increases with doping, but the accumulating charges reduce the electrons-polar-phonon interaction by screening the longitudinal electric fields. The theory predicts maxima in the TC-concentration dependence indeed observed experimentally. Having reached a maximum in the third band, the transition temperature finally decreases, rounding out the TC (n) dome, the three maxima with accompanying superconducting gaps emerging consecutively as electrons fill successive bands. This arises from attributes of the LO optical phonon pairing of electrons. The mechanism of LO phonons opens the path to increasing superconducting transition temperature in bulk transition-metal oxides and other polar crystals, and in charged 2D layers at the LaAaO3/SrTiO3 interfaces and on the SrTiO3 substrates.

  16. Unified modelling of the thermoelectric properties in SrTiO3 (United States)

    Bouzerar, G.; Thébaud, S.; Adessi, Ch.; Debord, R.; Apreutesei, M.; Bachelet, R.; Pailhès, S.


    Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new strategies to unearth optimized compounds. We present a theory of thermoelectric transport in electron-doped SrTiO3, based on a realistic tight-binding model that includes relevant scattering processes. We compare our calculations against a wide panel of experimental data, both bulk and thin films. We find a qualitative and quantitative agreement over both a wide range of temperatures and carrier concentrations, from light to heavily doped. Moreover, the results appear insensitive to the nature of the dopant La, B, Gd and Nb. Thus, the quantitative success found in the case of SrTiO3, reveals an efficient procedure to explore new routes to improve the thermoelectric properties in oxides.

  17. Anomalously large measured thermoelectric power factor in Sr1−xLaxTiO3 thin films due to SrTiO3 substrate reduction

    NARCIS (Netherlands)

    Scullin, Matthew L.; Yu, Choongho; Huijben, Mark; Mukerjee, Subroto; Seidel, Jan; Zhang, Qian; Moore, Joel; Majumdar, Arun; Ramesh, R.


    We report the observation that thermoelectric thin films of La-doped SrTiO3 grown on SrTiO3 substrates yield anomalously high values of thermopower to give extraordinary values of power factor at 300 K. Thin films of Sr0.98La0.02TiO3, grown via pulsed laser deposition at low temperature and low

  18. Quantization of Hall Resistance at the Metallic Interface between an Oxide Insulator and SrTiO3

    DEFF Research Database (Denmark)

    Trier, Felix; Prawiroatmodjo, Guenevere E. D. K.; Zhong, Zhicheng


    The two-dimensional metal forming at the interface between an oxide insulatorand SrTiO3 provides new opportunities for oxide electronics. However, the quantum Hall effect, one of the most fascinating effects of electrons confined in two dimensions, remains underexplored at these complex oxide...... heterointerfaces. Here, we report the experimental observation of quantized Hall resistance in a SrTiO3 heterointerface based on the modulation-doped amorphous-LaAlO3/SrTiO3 heterostructure, which exhibits both highelectron mobility exceeding 10, 000 cm2/V s and low carrier density on the order of ~1012 cm-2....... Along with unambiguous Shubnikov-de Haasoscillations, the spacing of the quantized Hall resistance suggests that the interface is comprised of a single quantum well with ten parallel conducting two-dimensional subbands. This provides new insight into the electronic structure of conducting oxide...

  19. Impact of biaxial compressive strain on the heterostructures of paraelectrics KTaO3 and SrTiO3

    Directory of Open Access Journals (Sweden)

    Yi Yang


    Full Text Available We have performed density functional theory calculations to explore the impact of biaxial compressive strain on the heterostructures of paraelectrics KTaO3 and SrTiO3. We find that the strain induces strong ferroelectric distortion in KTaO3/SrTiO3 heterostructures and it stabilizes the heterostructures in ferroelectric states.The strain influences the distribution of doped holes and leads to the localization of holes in TiO2 layer. It is very interesting that ferroelectricity and ferromagnetism simultaneously present in the strained heterostructures formed by the paraelectrics KTaO3 and SrTiO3. The reversal of ferroelectric polarization changes the interface magnetization and thus results in magnetoelectric coupling effect in the heterostructures.

  20. Tunable dielectric response, resistive switching, and unconventional transport in SrTiO3 (United States)

    Mikheev, Evgeny

    The first section of this thesis discusses integration of SR TiO3 grown by molecular beam epitaxy (MBE) in vertical device structures. One target application is as a tunable dielectric. Parallel plate capacitors based on epitaxial Pt(001) bottom electrodes and (Ba,Sr)TiO 3 dielectric layers grown by MBE are demonstrated. Optimization of structural quality of the vertical stack is shown to produce very low dielectric loss combined with very high tunability of the dielectric constant by DC bias. This results in considerable improvement of common figures of merit for varactor performance in comparison to previous reports. Another target application for transition metals oxides is in resistive switching memories, which are based on the hysteretic current-voltage response observed in many oxide-based Schottky junctions and capacitors. A study on the role of metal/oxide interface quality is presented. In particular, the use of epitaxial Pt(001) as Schottky contacts to Nb:SRTiO 3 is shown to suppress resistive switching hysteresis by eliminating unintentional contributions to interface capacitance. Such uncontrolled factors are discussed as a probable root cause for poor reproducibility in resistive switching memories, currently a ubiquitous challenge in the field. Potential routes towards stabilizing reproducible switching through intentional control of defect densities in high-quality structures are discussed, including a proof of concept demonstration using Schottky junctions incorporating intentionally non-stoichiometric SRTiO3 interlayers grown by MBE. The second section of this thesis is concerned with unconventional electronic transport in SRTiO3. A systematic description of scattering mechanisms will be presented for three related material systems: uniformly-doped SRTiO3, two-dimensional electron liquids (2DEL) at SRTiO3/RTiO 3 interfaces (R = Gd, Sm) and confined 2DELs in RTiO3/SRTiO3/ RTiO3 quantum wells. In particular, the prevalence of a well-defined T2

  1. Controlling the magnetism of oxygen surface vacancies in SrTiO3 through charging (United States)

    Brovko, Oleg O.; Tosatti, Erio


    We discuss, based on first-principles calculations, the possibility of tuning the magnetism of oxygen vacancies at the (001) surface of strontium titanate (SrTiO3). The magnetic moment of single and clustered vacancies stemming from Ti -O broken bonds can be both quenched and stabilized controllably by chemical potential adjustment associated with doping the system with electrons or holes. We discuss to what extent this route to magnetization state control is robust against other external influences such as chemical doping, mechanical action, and electric field. Such control of the vacancy state and magnetization can conceivably be achieved experimentally by using local probe tips.

  2. Promoting Photocatalytic Overall Water Splitting by Controlled Magnesium Incorporation in SrTiO3Photocatalysts. (United States)

    Han, Kai; Lin, Yen-Chun; Yang, Chia-Min; Jong, Ronald; Mul, Guido; Mei, Bastian


    SrTiO 3 is a well-known photocatalyst inducing overall water splitting when exposed to UV irradiation of wavelengths water-splitting efficiency of the Mg:SrTiO x composites is up to 20 times higher compared to SrTiO 3 containing similar catalytic nanoparticles, and an apparent quantum yield (AQY) of 10 % can be obtained in the wavelength range of 300-400 nm. Detailed characterization of the Mg:SrTiO x composites revealed that Mg is likely substituting the tetravalent Ti ion, leading to a favorable surface-space-charge layer. This originates from tuning of the donor density in the cubic SrTiO 3 structure by Mg incorporation and enables high oxygen-evolution rates. Nevertheless, interfacing with an appropriate hydrogen evolution catalyst is mandatory and non-trivial to obtain high-performance in water splitting. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Evolution of the SrTiO3/MoO3 interface electronic structure: An in situ photoelectron spectroscopy study

    KAUST Repository

    Du, Yuanmin


    Modifying the surface energetics, particularly the work function, of advanced materials is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultrathin MoO3 layers. Thanks to the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3/MoO3 interface leads to a large modulation of work function and an apparent doping in SrTiO3. The measured evolution of electronic structure and upward band bending suggest that the growth of ultrathin MoO3 layers is a powerful tool to modulate the surface energetics of SrTiO3, and this surface-engineering approach could be generalized to other functional oxides.

  4. Time-resolved photoluminescence of cubic Mg doped GaN

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, R.; Gaspar, C.; Monteiro, T.; Pereira, E.; Schoettker, B.; Frey, T.; As, D.J.; Schikora, D.; Lischka, K.


    Mg doped cubic GaN layers were studied by steady state and time resolved photoluminescence. The blue emission due to Mg doping can be decomposed in three bands. The decay curves and the spectral shift with time delays indicates donor-acceptor pair behavior. This can be confirmed by excitation density dependent measurements. Furthermore temperature dependent analysis shows that the three emissions have one impurity in common. The authors propose that this is an acceptor level related to the Mg incorporation and the three deep donor levels are due to compensation effects.

  5. Growth and characterization of Mn-doped cubic-GaN

    Energy Technology Data Exchange (ETDEWEB)

    Takano, Fumiyoshi [Nanotechnology Research Institute (NRI) and Research Consortium for Synthetic Nano-Function Materials Project (SYNAF), National Institute of Advanced Industrial Science and Technology - AIST, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan)]. E-mail:; Ofuchi, Hironori [Department of Crystalline Materials Science, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Lee, JeungWoo [Institute of Materials Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573 (Japan); Takita, Koki [Institute of Materials Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573 (Japan); Akinaga, Hiro [Nanotechnology Research Institute (NRI) and Research Consortium for Synthetic Nano-Function Materials Project (SYNAF), National Institute of Advanced Industrial Science and Technology - AIST, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan)


    We report on the growth and characterization of Mn-doped cubic-GaN films. The n-type carriers, which are resulting from the formation of nitrogen vacancies, were intentionally utilized. For a 3% Mn sample with a high carrier density ({approx}1x10{sup 2} cm{sup -3}), we found substitutional Mn atoms on both the Ga-site and N-site, i.e. (Ga,Mn)N and Ga(N,Mn) exist together. A ferromagnetic behavior was observed in this sample at low temperature ({approx}5 K), although a 3% Mn semi-insulating sample in which Mn atoms substitute only the Ga-sites in the cubic-GaN lattice showed paramagnetism even at low temperature. The structural and magnetic properties of the relatively high Mn composition ({>=}5%) samples were found to be governed by precipitate clusters of antiferromagnetic GaMn{sub 3}N and ferromagnetic Mn{sub 4}N.

  6. Thin-film dye sensitization and impurity effects on TiO2 and SrTiO3 electrodes for the photoelectrolysis of water

    NARCIS (Netherlands)

    Mackor, A.; Schoonman, J.


    Single crystals of TiO2 and SrTiO3 are sensitized by thin films of a ruthenium surfactant dye, which is able to sustain catalytic oxidation of water upon irradiation with visible light. Calculated turnover numbers exceed 2000. Doping of the crystals with niobium does not improve the suitability of

  7. Enhanced thermoelectric figure-of-merit in thermally robust, nanostructured superlattices based on SrTiO3

    KAUST Repository

    Abutaha, Anas I.


    Thermoelectric (TE) metal oxides overcome crucial disadvantages of traditional heavy-metal-alloy-based TE materials, such as toxicity, scarcity, and instability at high temperatures. Here, we report the TE properties of metal oxide superlattices, composed from alternating layers of 5% Pr3+-doped SrTiO3-δ (SPTO) and 20% Nb5+-doped SrTiO3-δ (STNO) fabricated using pulsed laser deposition (PLD). Excellent stability is established for these superlattices by maintaining the crystal structure and reproducing the TE properties after long-time (20 h) annealing at high temperature (∼1000 K). The introduction of oxygen vacancies as well as extrinsic dopants (Pr3+ and Nb5+), with different masses and ionic radii, at different lattice sites in SPTO and STNO layers, respectively, results in a substantial reduction of thermal conductivity via scattering a wider range of phonon spectrum without limiting the electrical transport and thermopower, leading to an enhancement in the figure-of-merit (ZT). The superlattice composed of 20 SPTO/STNO pairs, 8 unit cells of each layer, exhibits a ZT value of 0.46 at 1000 K, which is the highest among SrTiO3-based thermoelectrics. © 2015 American Chemical Society.

  8. Biphasic quantum dots of cubic and hexagonal Mn doped CdS; necessity of Rietveld analysis

    Energy Technology Data Exchange (ETDEWEB)

    Heiba, Zein K., E-mail: [Ain Shams University, Faculty of Science, Physics Department, Cairo (Egypt); Taif University, Faculty of Science, Physics Department (Saudi Arabia); Mohamed, Mohamed Bakr [Ain Shams University, Faculty of Science, Physics Department, Cairo (Egypt); Imam, N.G. [Experimental Physics Department, Nuclear Research Center, Atomic Energy Authority, 13759 Cairo (Egypt)


    Highlights: • Mn{sup 2+} doped CdS quantum dots (QDs) were prepared via a simple chemical synthesis procedure. • Biphasic composite of CdS QDs was revealed with maximum magnetism at 10 at.% of Mn{sup 2+}. • Rietveld structural analysis is a necessity for dealing with nano or quantum dots chalcogenides. • Full investigation of effects of Mn doping on the structural, optical and magnetic parameters. - Abstract: Mn{sup 2+} doped CdS quantum dots (QDs) were prepared via a simple chemical synthesis method. Incorporation of Mn ions into CdS QDs was monitored by structural, magnetic and optical spectroscopy analysis. Although the diffraction patterns seemed to be single wurtzite hexagonal structure, analysis revealed biphasic composite of CdS QDs hexagonal wurtzite and cubic zinc blende. The band gap, crystal phase and the morphology of CdS QDs were found not to be greatly affected by Mn{sup 2+} doping, however there was an optimal Mn{sup 2+} doping content of 10% where the magnetism is maximum. The recorded photoluminescence (PL) emission spectra, excited at 370 nm, depict emission lines in the UV and blue-shift regions. The emission band reveals that the band gap of pure CdS QDs is around 3 eV which is greater than that of bulk CdS (2.42 eV). The band gap of Mn:CdS QDs is almost independent of Mn content (x) and the crystallite size remains almost the same for all values of x. The observed structural, magnetic and optical properties have been explained on the basis of formation of two phases of CdS doped with Mn. This work aims to highlight recent advances in the synthesis of Mn:CdS diluted magnetic semiconductor quantum dots and their wonderful performance.

  9. Native SrTiO3 (001) surface layer from resonant Ti L2,3 reflectance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Valvidares, Manuel; Huijben, Mark; Yu, Pu; Ramesh, Ramamoorthy; Kortright, Jeffrey


    We quantitatively model resonant Ti L2,3 reflectivity Rs,p(q, hn) from several SrTiO3 (001) single crystals having different initial surface preparations and stored in ambient conditions before and between measurements. All samples exhibit unexpected 300 K Rs(hn) - Rp(hn) anisotropy corresponding to weak linear dichroism and tetragonal distortion of the TiO6 octahedra indicating a surface layer with properties different from cubic SrTiO3. Oscillations in Rs(q) confirm a ubiquitous surface layer 2-3 nm thick that evolves over a range of time scales. Resonant optical constant spectra derived from Rs,p(hn) assuming a uniform sample are refined using a single surface layer to fit measured Rs(q). Differences in surface layer and bulk optical properties indicate that the surface is significantly depleted in Sr and enriched in Ti and O. While consistent with the tendency of SrTiO3 surfaces toward non-stoichiometry, this layer does not conform simply to existing models for the near surface region and apparently forms via room temperature surface reactions with the ambient. This new quantitative spectral modeling approach is generally applicable and has potential to study near-surface properties of a variety of systems with unique chemical and electronic sensitivities.

  10. Physics of SrTiO3-based heterostructures and nanostructures: a review. (United States)

    Pai, Yun-Yi; Tylan-Tyler, Anthony; Irvin, Patrick; Levy, Jeremy


    1 Overview 1 1.1 Introduction 1 1.1.1 Oxide growth techniques are rooted in search for high-Tc superconductors 2 1.1.2 First reports of interface conductivity 2 1.2 2D physics 2 1.3 Emergent properties of oxide heterostructures and nanostructures 3 1.4 Outline 3 2 Relevant properties of SrTiO3 3 2.1 Structural properties and transitions 3 2.2 Ferroelectricity, Paraelectricity and Quantum Paraelectricity 4 2.3 Electronic structure 5 2.4 Defects 6 2.4.1 Oxygen vacancies 6 2.4.2 Terraces 7 2.5 Superconductivity 7 3 SrTiO3-based heterostructures and nanostructures 8 3.1 Varieties of heterostructures 8 3.1.1 SrTiO3 only 9 3.1.2 LaAlO3/SrTiO3 9 3.1.3 Other heterostructures formed with SrTiO3 10 3.2 Thin-film growth 10 3.2.1 Substrates 10 3.2.2 SrTiO3 surface treatment 11 3.2.3 Pulsed Laser Deposition 11 3.2.4 Atomic Layer Deposition 13 3.2.5 Molecular Beam Epitaxy 14 3.2.6 Sputtering 15 3.3 Device Fabrication 15 3.3.1 "Conventional" photolithography - Thickness Modulation, hard masks, etc. 15 3.3.2 Ion beam irradiation 16 3.3.3 Conductive-AFM lithography 16 4 Properties and phase diagram of LaAlO3/SrTiO3 16 4.1 Insulating state 16 4.2 Conducting state 17 4.2.1 Confinement thickness (the depth profile of the 2DEG) 17 4.3 Metal-insulator transition and critical thickness 18 4.3.1 Polar catastrophe ( electronic reconstruction) 18 4.3.2 Oxygen Vacancies 19 4.3.3 Interdiffusion 20 4.3.4 Polar Interdiffusion + oxygen vacancies + antisite pairs 20 4.3.5 Role of surface adsorbates 21 4.3.6 Hidden FE like distortion - Strain induced instability 21 4.4 Structural properties and transitions 21 4.5 Electronic band structure 22 4.5.1 Theory 22 4.5.2 Experiment 23 4.5.3 Lifshitz transition 24 4.6 Defects, doping, and compensation 25 4.7 Magnetism 25 4.7.1 Experimental evidence 25 4.7.2 Two types of magnetism 27 4.7.3 Ferromagnetism 27 4.7.4 Metamagnetism 28 4.8 Superconductivity 28 4.9 Optical properties 29 4.9.1 Photoluminesce

  11. High mobility conduction at (110) and (111) LaAlO3/SrTiO3 interfaces. (United States)

    Herranz, G; Sánchez, F; Dix, N; Scigaj, M; Fontcuberta, J


    In recent years, striking discoveries have revealed that two-dimensional electron liquids (2DEL) confined at the interface between oxide band-insulators can be engineered to display a high mobility transport. The recognition that only few interfaces appear to suit hosting 2DEL is intriguing and challenges the understanding of these emerging properties not existing in bulk. Indeed, only the neutral TiO(2) surface of (001)SrTiO(3) has been shown to sustain 2DEL. We show that this restriction can be surpassed: (110) and (111) surfaces of SrTiO(3) interfaced with epitaxial LaAlO(3) layers, above a critical thickness, display 2DEL transport with mobilities similar to those of (001)SrTiO(3). Moreover we show that epitaxial interfaces are not a prerequisite: conducting (110) interfaces with amorphous LaAlO(3) and other oxides can also be prepared. These findings open a new perspective both for materials research and for elucidating the ultimate microscopic mechanism of carrier doping.

  12. Evidence for the formation of two phases during the growth of SrTiO3 on silicon (United States)

    Niu, G.; Penuelas, J.; Largeau, L.; Vilquin, B.; Maurice, J. L.; Botella, C.; Hollinger, G.; Saint-Girons, G.


    Epitaxial SrTiO3 (STO)/Si templates open a unique opportunity for the integration of ferroelectric oxides, such as BaTiO3 on silicon and for the realization of new devices exploiting ferroelectricity. STO itself has been shown as ferroelectric at room temperature when deposited in thin layers on Si, while bulk STO is tetragonal and, thus, ferroelectric below 105 K. Here, we demonstrate the coexistence, at room temperature, of strained cubic and tetragonal phases in thin STO/Si layers. The tetragonal STO phase presents a pronounced tetragonality for thicknesses up to 24 ML. Above this thickness, the strained cubic STO phase starts relaxing while the tetragonal STO phase progressively transits to cubic STO. The origin of the simultaneous formation of these two phases is analyzed and is attributed to oxygen segregation at the early stages of the growth.

  13. Effect of Si doping on cubic GaN films grown on GaAs(1 0 0) (United States)

    Xu, Dapeng; Yang, Hui; Li, J. B.; Li, S. F.; Wang, Y. T.; Zhao, D. G.; Wu, R. H.


    Epitaxial layers of cubic GaN have been grown by metalorganic vapor-phase epitaxy (MOVPE) with Si-doping carrier concentration ranging from 3×10 18 to 2.4×10 20/cm 3. Si-doping decreased the yellow emission of GaN. However, the heavily doped n-type material has been found to induce phase transformation. As the Si-doping concentration increases, the hexagonal GaN nanoparticles increase. Judged from the linewidth of X-ray rocking curve, Si-doping increases the density of dislocations and stacking faults. Based on these observations, a model is proposed to interpret the phase transformation induced by the generated microdefects, such as dislocations and precipitates, and induced stacking faults under heavy Si-doping.

  14. Infiltrated SrTiO3:FeCr‐based Anodes for Metal‐Supported SOFC

    DEFF Research Database (Denmark)

    Blennow Tullmar, Peter; Reddy Sudireddy, Bhaskar; Persson, Åsa Helen


    The concept of using electronically conducting anode backbones with subsequent infiltration of electrocatalytic active materials has been used to develop an alternative solid oxide fuel cell (SOFC) design based on a ferritic stainless steel support. The anode backbone consists of a composite made...... of Nb‐doped SrTiO3 (STN) and FeCr stainless steel. A number of different experimental routes and analysis techniques have been used to evaluate the microstructural and chemical changes occurring in the composite anode layer during electrochemical testing at intermediate temperatures (650 °C). STN and Fe......Cr stainless steel was found to be compatible on the macro‐scale level, however, some micro‐scale chemical interaction was observed. The composite anode backbone showed a promising corrosion resistance, with a decrease in formation of Cr2O3 on the FeCr particles, when exposed to SOFC operating...

  15. Modification of SrTiO3 single-crystalline surface after plasma flow treatment

    Energy Technology Data Exchange (ETDEWEB)

    Levin, Alexandr A.; Weissbach, Torsten; Leisegang, Tilmann; Meyer, Dirk C. [Institut fuer Strukturphysik, Technische Universitaet Dresden, 01062 Dresden (Germany); Kulagin, Nikolay A. [Kharkiv National University for Radioelectronics, av. Shakespeare 6-48, 61045 Kharkiv (Ukraine); Langer, Enrico [Institut fuer Festkoerperphysik, Technische Universitaet Dresden, 01062 Dresden (Germany)


    Surface of pure and transition metal-doped SrTiO3(STO) single crystals before and after hydrogen plasma-flow treatment (energy of 5..20 J/cm2) is investigated by wide-angle X-ray diffraction (WAXRD), fluorescence X-ray absorption near edge structure (XANES) and scanning electron microscopy (SEM) techniques. Plasma treatment results in the formation of a textured polycrystalline layer at the surface of the single-crystalline samples with different orientation. The formation of the quasi-ordered structures consisting of nanoscale-sized pyramids is observed by SEM. XANES evidences the change of the valency of the part of Ti4+ to Ti3+ due to the plasma treatment. The data obtained together with results of X-ray spectroscopy measurements gives evidences of the change of stoichiometry of the STO samples resulting in a change of their physical properties after plasma treatment.

  16. Ab initio LSDA and LSDA+U study of pure and Cd-doped cubic lanthanide sesquioxides

    DEFF Research Database (Denmark)

    Richard, D.; Muñoz, E.L.; Rentería, M.


    The electronic, structural, and hyperfine properties of pure and Cd-doped lanthanide (Ln) sesquioxides with the cubic bixbyite structure (Ln2O3, Ln ranging from La to Lu) have been studied using the full-potential augmented plane wave plus local orbital (APW+lo) method within the local spin density...

  17. Structural Behaviour of Solid Solutions in the NdAlO3-SrTiO3 System (United States)

    Ohon, Natalia; Stepchuk, Roman; Blazhivskyi, Kostiantyn; Vasylechko, Leonid


    Single-phase mixed aluminates-titanates Nd1- x Sr x Al1- x Ti x O3 ( x = 0.3 ÷ 0.9) were prepared from stoichiometric amounts of constituent oxides Nd2O3, Al2O3, TiO2 and strontium carbonate SrCO3 by solid-state reaction technique in air at 1773 K. Crystal structure parameters of Nd1- x Sr x Al1- x Ti x O3 were refined by full-profile Rietveld refinement in space groups R overline{3} c ( x = 0.3, 0.5, 0.7 and 0.8) and Pm overline{3} m ( x = 0.9). Comparison of the obtained structural parameters with the literature data for the end members of the system NdAlO3 and SrTiO3 revealed formation of two kinds of solid solutions Nd1-xSrxAl1-xTixO3 with the cubic and rhombohedral perovskite structure. Morphotropic rhombohedral-to-cubic phase transition in Nd1-xSrxAl1-xTixO3 series occurs at x = 0.84. Based on the results obtained as well as the literature data for the parent compounds, the tentative phase diagram of the NdAlO3-SrTiO3 pseudo-binary system have been constructed.

  18. Synthesis of BiFeO3 thin films on single-terminated Nb : SrTiO3 (111 substrates by intermittent microwave assisted hydrothermal method

    Directory of Open Access Journals (Sweden)

    Ivan Velasco-Davalos


    Full Text Available We report on a simple and fast procedure to create arrays of atomically flat terraces on single crystal SrTiO3 (111 substrates and the deposition of ferroelectric BiFeO3 thin films on such single-terminated surfaces. A microwave-assisted hydrothermal method in deionized water and ammonia solution selectively removes either (SrO34− or Ti4+ layers to ensure the same chemical termination on all terraces. Measured step heights of 0.225 nm (d111 and uniform contrast in the phase image of the terraces confirm the single termination in pure and Nb doped SrTiO3 single crystal substrates. Multiferroic BiFeO3 thin films were then deposited by the same microwave assisted hydrothermal process on Nb : SrTiO3 (111 substrates. Bi(NO33 and Fe(NO33 along with KOH served as the precursors solution. Ferroelectric behavior of the BiFeO3 films on Nb : SrTiO3 (100 substrates was verified by piezoresponse force microscopy.

  19. Modification of Ag nanoparticles on the surface of SrTiO3 particles and resultant influence on photoreduction of CO2 (United States)

    Shao, Kunjuan; Wang, Yanjie; Iqbal, Muzaffar; Lin, Lin; Wang, Kai; Zhang, Xuehua; He, Meng; He, Tao


    Modification of a wide-bandgap semiconductor with noble metals that can exhibit surface plasmon effect is an effective approach to make it responsive to the visible light. In this work, a series of cubic and all-edge-truncated SrTiO3 with and without thermal pretreatment in air are modified by Ag nanoparticles via photodeposition method. The crystal structure, morphology, loading amount of Ag nanoparticles, and optical properties of the obtained Ag-SrTiO3 nanomaterials are well characterized by powder X-ray diffraction, scanning microscope, transmission electron microscope, energy disperse X-ray spectroscopy, ICP-MS and UV-vis diffuse-reflection spectroscopy. The loading amount and size of the Ag nanoparticles can be controlled to some extent by tuning the photodeposition time via growth-dissolution mechanism. The Ag nanoparticles are inclined to deposit on different locations on the surface of cubic and truncated SrTiO3 with and without thermal pretreatment. The resultant SrTiO3 modified by Ag nanoparticles exhibits visible light activity for photocatalytic reduction of CO2, which is closely related to the oxygen vacancy induced by thermal pretreatment, size and amount of Ag nanoparticles. Accordingly, there is an optimized photodeposition time for the synthesis of the photocatalyst that exhibits the highest photocatalytic activity.

  20. Origin of interface magnetism in BiMnO3/SrTiO3 and LaAlO3/SrTiO3 heterostructures. (United States)

    Salluzzo, M; Gariglio, S; Stornaiuolo, D; Sessi, V; Rusponi, S; Piamonteze, C; De Luca, G M; Minola, M; Marré, D; Gadaleta, A; Brune, H; Nolting, F; Brookes, N B; Ghiringhelli, G


    Possible ferromagnetism induced in otherwise nonmagnetic materials has been motivating intense research in complex oxide heterostructures. Here we show that a confined magnetism is realized at the interface between SrTiO3 and two insulating polar oxides, BiMnO3 and LaAlO3. By using polarization dependent x-ray absorption spectroscopy, we find that in both cases the magnetism can be stabilized by a negative exchange interaction between the electrons transferred to the interface and local magnetic moments. These local magnetic moments are associated with magnetic Ti3+ ions at the interface itself for LaAlO3/SrTiO3 and to Mn3+ ions in the overlayer for BiMnO3/SrTiO3. In LaAlO3/SrTiO3 the induced magnetism is quenched by annealing in oxygen, suggesting a decisive role of oxygen vacancies in this phenomenon.

  1. Cation distribution, magnetic properties and cubic-perovskite phase transition in bismuth-doped nickel ferrite (United States)

    Gore, Shyam K.; Jadhav, Santosh S.; Tumberphale, Umakant B.; Shaikh, Shoyeb M.; Naushad, Mu; Mane, Rajaram S.


    The phase transition of bismuth-substituted nickel ferrite, synthesized by using a simple sol-gel autocombustion method, from cubic to perovskite is confirmed from the X-ray diffraction spectrums. The changes in isomer shift, hyperfine field and cation distribution are obtained from the Mossbauer spectroscopy analysis. The cation distribution demonstrates Ni2+ cations occupy tetrahedral sites, while Fe3+ and Bi3+ occupy both tetrahedral as well as octahedral sites. For higher concentrations of bismuth, saturation magnetization is increased whereas, coercivity is decreased which is related to phase change. The variations of dielectric constant, tangent loss and conductivity (ac) with frequency (10 Hz-5 MHz) have been explored with Bi3+-doping i.e. 'x'. According to Maxwell-Wagener model, there is an involvement of electron hopping kinetics as both dielectric constant and tangent loss are decreased with increasing frequency. Increase of conductivity with frequency (measured at room temperature, 27 °C) is attributed to increase of number of carriers and mobility.

  2. Promoting Photocatalytic Overall Water Splitting by Controlled Magnesium Incorporation in SrTiO3 Photocatalysts

    NARCIS (Netherlands)

    Han, Kai; Lin, Yen Chun; Yang, Chia Min; Jong, Ronald; Mul, Guido; Mei, Bastian


    SrTiO3 is a well-known photocatalyst inducing overall water splitting when exposed to UV irradiation of wavelengths <370 nm. However, the apparent quantum efficiency of SrTiO3 is typically low, even when functionalized with nanoparticles of Pt or Ni@NiO. Here, we introduce a simple solid-state

  3. Photocatalytic reduction synthesis of SrTiO3-graphene nanocomposites and their enhanced photocatalytic activity. (United States)

    Xian, Tao; Yang, Hua; Di, Lijing; Ma, Jinyuan; Zhang, Haimin; Dai, Jianfeng


    SrTiO3-graphene nanocomposites were prepared via photocatalytic reduction of graphene oxide by UV light-irradiated SrTiO3 nanoparticles. Fourier transformed infrared spectroscopy analysis indicates that graphene oxide is reduced into graphene. Transmission electron microscope observation shows that SrTiO3 nanoparticles are well assembled onto graphene sheets. The photocatalytic activity of as-prepared SrTiO3-graphene composites was evaluated by the degradation of acid orange 7 (AO7) under a 254-nm UV irradiation, revealing that the composites exhibit significantly enhanced photocatalytic activity compared to the bare SrTiO3 nanoparticles. This can be explained by the fact that photogenerated electrons are captured by graphene, leading to an increased separation and availability of electrons and holes for the photocatalytic reaction. Hydroxyl (·OH) radicals were detected by the photoluminescence technique using terephthalic acid as a probe molecule and were found to be produced over the irradiated SrTiO3 nanoparticles and SrTiO3-graphene composites; especially, an enhanced yield is observed for the latter. The influence of ethanol, KI, and N2 on the photocatalytic efficiency was also investigated. Based on the experimental results, ·OH, h(+), and H2O2 are suggested to be the main active species in the photocatalytic degradation of AO7 by SrTiO3-graphene composites. 61.46. + w; 78.67.Bf; 78.66.Sq.

  4. Research Update: Conductivity and beyond at the LaAlO3/SrTiO3 interface

    Directory of Open Access Journals (Sweden)

    S. Gariglio


    Full Text Available In this review, we focus on the celebrated interface between two band insulators, LaAlO3 and SrTiO3, that was found to be conducting, superconducting, and to display a strong spin-orbit coupling. We discuss the formation of the 2-dimensional electron liquid at this interface, the particular electronic structure linked to the carrier confinement, the transport properties, and the signatures of magnetism. We then highlight distinctive characteristics of the superconducting regime, such as the electric field effect control of the carrier density, the unique tunability observed in this system, and the role of the electronic subband structure. Finally we compare the behavior of Tc versus 2D doping with the dome-like behavior of the 3D bulk superconductivity observed in doped SrTiO3. This comparison reveals surprising differences when the Tc behavior is analyzed in terms of the 3D carrier density for the interface and the bulk.

  5. Bismuth doping strategies in GeTe nanowires to promote high-temperature phase transition from rhombohedral to face-centered cubic structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jie; Huang, Rong; Wei, Fenfen; Cheng, Guosheng, E-mail: [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 398 Ruoshui Road, Suzhou Industrial Park, Jiangsu 215123 (China); University of Chinese Academy of Sciences, No.19A Yuquan Road, Beijing 100049 (China); Kong, Tao [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 398 Ruoshui Road, Suzhou Industrial Park, Jiangsu 215123 (China)


    The phase transition of Bi-doped (∼3 at. %) GeTe nanowires from a rhombohedral (R) to a face-centered cubic (C) structure was observed in in situ high-temperature X-ray diffraction. The promotion of high-temperature R-C phase transition by a doping approach was revealed. Ab initio energy calculations of doped GeTe at various Bi doping concentrations were performed to interpret the promoted temperature-induced phase transitions. Those results indicated that the total energy differences between R and C structures of doped GeTe decreased as Bi doping concentrations increased, which facilitated R-C phase transitions.

  6. Quantum Chemical Study of Water Adsorption on the Surfaces of SrTiO3 Nanotubes. (United States)

    Bandura, Andrei V; Kuruch, Dmitry D; Evarestov, Robert A


    We have studied the adsorption of water molecules on the inner and outer surfaces of nanotubes generated by rolling (001) layers of SrTiO3 cubic crystals. The stability and the atomic and electronic structures of the adsorbed layers are determined by using hybrid density functional theory. The absorption energy and the preferred adsorbate structure are essentially governed by the nature of the surface of the nanotube. Dissociative adsorption prevails on the outer nanotube surfaces. The stability of the adsorbed layers on the inner surfaces is related to the possibility of the formation of hydrogen bonds between water molecules and surface oxygen atoms, and depends on the surface curvature. The presence of water molecules on the inner surface of the nanotubes leads to an increase of the electronic band gap. Externally TiO2 -terminated nanotubes could be used for the photocatalytic decomposition of water by ultraviolet radiation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. The metallic interface between the two band insulators LaGaO3 and SrTiO3

    KAUST Repository

    Nazir, Safdar


    The formation of metallic interface states between the two band insulators LaGaO3 and SrTiO3 is studied by the full-potential linearized augmented plane-wave method based on density functional theory.Structural optimization of the atomic positions points to only small changes of the chemical bonding at the interface. The n-type (LaO/TiO2) and p-type (GaO2/SrO) interfaces turn out to be metallic. Reduction of the O content increases the conductivity of the n-type interface, while the p-type interface can be turned gradually from a hole doped into an electron doped state.

  8. Tuning La0.67Sr0.33MnO3 surface magnetism using LaMnO3 and SrTiO3 caps (United States)

    Phillips, L. C.; Maccherozzi, F.; Moya, X.; Ghidini, M.; Yan, W.; Soussi, J.; Dhesi, S. S.; Mathur, N. D.


    We have investigated how the surface magnetism of epitaxial La0.67Sr0.33MnO3 films on NdGaO3 substrates is modified by 2 nm-thick caps of the undoped manganite LaMnO3 and the band insulator SrTiO3. Low-temperature photoemission electron microscopy images with x-ray magnetic circular dichroism contrast reveal large ferromagnetic domains, and a reduction of surface Curie temperature by 40 K (LaMnO3 cap) and 70 K (SrTiO3 cap). We use these negative results to argue that capped films of sub-optimally doped La1-xSrxMnO3 (x≠0.33) should improve the operating temperature of all-oxide and other spintronic devices.

  9. Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO3 from density functional theory

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan


    A density functional theory investigation of the thermodynamic and kinetic properties of hydrogen–hydrogen defect interactions in the cubic SrTiO3 perovskite is presented. We find a net attraction between two hydrogen atoms with an optimal separation of ∼2.3 Å. The energy gain is ca. 0.33 e...... agreement with the proposed properties of the double hydrogen defect.......V compared to two non-interacting H defects. The main cause of the net attractive potential is elastic defect interactions through lattice deformation. Two possible diffusion paths for the hydrogen defect pair are investigated and are both determined to be faster than the corresponding diffusion path...

  10. Unconventional 1/f noise in Graphene on SrTiO3 substrate (United States)

    Sahoo, Anindita; Ruiter, Roald; Banerjee, Tamalika; Ghosh, Arindam

    Electrical transport in graphene has been of great interest in both fundamental and applied research. The impact of the substrate is critical to the operation of graphene field effect transistors (FET), which can modify several transport parameters as well as low frequency 1/f noise. Replacing the usual SiO2/Si++ substrate with SrTiO3[STO] having high dielectric constant, has opened up new possibilities, leading to large doping, higher mobility, and also hysteretic transfer characteristics for memory applications. We have studied 1/f noise in dual-gated single layer graphene (SLG) FET sandwiched between STO (substrate) and mechanically exfoliated hexagonal boron-nitride (dielectric for the top gate). The area normalized noise amplitude of SLG on STO followed an unexpected `W'-shape dependence of gate-bias with the central peak at Dirac point in conflict with the usual `V', `M' or ` Λ'-type dependence of SLG noise on SiO2. We discuss possible microscopic mechanisms for such behavior, considering the role of puckering of oxygen atoms introducing inward dipole moments that can form a new source of electrostatically tunable scattering mechanism at the graphene-STO interface.

  11. Effect of Eu{sup 3+} doping on the structural and photoluminescence properties of cubic CaCO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Yan; Sun, Yidi; Zou, Haifeng; Sheng, Ye; Zhou, Xiuqing; Zhang, Bowen; Zhou, Bing, E-mail:


    Graphical abstract: - Highlights: • The doping of Eu{sup 3+} ions decreased the size of CaCO{sub 3} nanoparticles. • The doping of Eu{sup 3+} ions brought about the change of CaCO{sub 3}'s optical bandgap. • Multiple sites of Eu{sup 3+} in CaCO{sub 3} nanocrystals have been identified. - Abstract: CaCO{sub 3}:xEu{sup 3+} (x = 0, 0.010, 0.015, 0.020, and 0.025) cubic nanoparticles were synthesized by carbonation method. The powder XRD patterns and SEM images of the CaCO{sub 3}:xEu{sup 3+} nanoparticles demonstrate that both the crystalline sizes and average particle sizes of synthesized samples decreased with the increase of Eu{sup 3+} content until x = 0.020. Kubelka–Munk plots and bandgap energy estimation indicate that the doping of Eu{sup 3+} ions changed optical bandgap of CaCO{sub 3}. Photoluminescence (PL) spectra show that the PL intensity of the CaCO{sub 3}:xEu{sup 3+} nanoparticles was enhanced with the increase of Eu{sup 3+} content in cubic CaCO{sub 3}:xEu{sup 3+}, and concentration quenching occurred when Eu{sup 3+} concentration exceeded 2.0 mol%. In addition, the doped sites of Eu{sup 3+} in CaCO{sub 3} crystalline were identified by the site-selective spectroscopy and decay curves.

  12. Imaging and tuning polarity at SrTiO3 domain walls. (United States)

    Frenkel, Yiftach; Haham, Noam; Shperber, Yishai; Bell, Christopher; Xie, Yanwu; Chen, Zhuoyu; Hikita, Yasuyuki; Hwang, Harold Y; Salje, Ekhard K H; Kalisky, Beena


    Electrostatic fields tune the ground state of interfaces between complex oxide materials. Electronic properties, such as conductivity and superconductivity, can be tuned and then used to create and control circuit elements and gate-defined devices. Here we show that naturally occurring twin boundaries, with properties that are different from their surrounding bulk, can tune the LaAlO3/SrTiO3 interface 2DEG at the nanoscale. In particular, SrTiO3 domain boundaries have the unusual distinction of remaining highly mobile down to low temperatures, and were recently suggested to be polar. Here we apply localized pressure to an individual SrTiO3 twin boundary and detect a change in LaAlO3/SrTiO3 interface current distribution. Our data directly confirm the existence of polarity at the twin boundaries, and demonstrate that they can serve as effective tunable gates. As the location of SrTiO3 domain walls can be controlled using external field stimuli, our findings suggest a novel approach to manipulate SrTiO3-based devices on the nanoscale.

  13. Influence of chromium concentration on the electron magnetic resonance linewidth of Cr3+ in SrTiO3

    Directory of Open Access Journals (Sweden)

    Ronaldo Sergio de Biasi


    Full Text Available Electron magnetic resonance (EMR spectra of Cr3+ ions in samples of chromium-doped strontium titanate (SrTiO3 have been studied at room temperature for chromium concentrations between 0.20 and 1.00 mol%. According to previous studies, chromium substitutes Ti4+ sites in the lattice and its preferred valence state is Cr4+, which is EMR silent in the X-band, but the trivalent state can be produced by illumination or codoping with Nb. In the present work, the codoping method was used; the results show the electron magnetic resonance linewidth of the Cr3+ spectrum increases with increasing chromium concentration and that the range of the exchange interaction between Cr3+ ions is about 0.96 nm.

  14. Fabricating superconducting interfaces between artificially grown LaAlO3 and SrTiO3 thin films

    Directory of Open Access Journals (Sweden)

    Danfeng Li


    Full Text Available Realization of a fully metallic two-dimensional electron gas (2DEG at the interface between artificially grown LaAlO3 and SrTiO3 thin films has been an exciting challenge. Here we present for the first time the successful realization of a superconducting 2DEG at interfaces between artificially grown LaAlO3 and SrTiO3 thin films. Our results highlight the importance of two factors—the growth temperature and the SrTiO3 termination. We use local friction force microscopy and transport measurements to determine that in normal growth conditions the absence of a robust metallic state at low temperature in the artificially grown LaAlO3/SrTiO3 interface is due to the nanoscale SrO segregation occurring on the SrTiO3 film surface during the growth and the associated defects in the SrTiO3 film. By adopting an extremely high SrTiO3 growth temperature, we demonstrate a way to realize metallic, down to the lowest temperature, and superconducting 2DEG at interfaces between LaAlO3 layers and artificially grown SrTiO3 thin films. This study paves the way to the realization of functional LaAlO3/SrTiO3 superlattices and/or artificial LaAlO3/SrTiO3 interfaces on other substrates.

  15. Temperature-Dependent Electron-Electron Interaction in Graphene on SrTiO3. (United States)

    Ryu, Hyejin; Hwang, Jinwoong; Wang, Debin; Disa, Ankit S; Denlinger, Jonathan; Zhang, Yuegang; Mo, Sung-Kwan; Hwang, Choongyu; Lanzara, Alessandra


    The electron band structure of graphene on SrTiO3 substrate has been investigated as a function of temperature. The high-resolution angle-resolved photoemission study reveals that the spectral width at Fermi energy and the Fermi velocity of graphene on SrTiO3 are comparable to those of graphene on a BN substrate. Near the charge neutrality, the energy-momentum dispersion of graphene exhibits a strong deviation from the well-known linearity, which is magnified as temperature decreases. Such modification resembles the characteristics of enhanced electron-electron interaction. Our results not only suggest that SrTiO3 can be a plausible candidate as a substrate material for applications in graphene-based electronics but also provide a possible route toward the realization of a new type of strongly correlated electron phases in the prototypical two-dimensional system via the manipulation of temperature and a proper choice of dielectric substrates.

  16. Resistance switching at the interface of LaAlO3/SrTiO3

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Zhao, J.L.; Sun, J.R.


    At the interface of LaAlO3/SrTiO3 with film thickness of 3 unit cells or greater, a reproducible electric-field-induced bipolar resistance switching of the interfacial conduction is observed on nanometer scale by a biased conducting atomic force microscopy under vacuum environment. The switching...... behavior is suggested to be an intrinsic feature of the SrTiO3 single crystal substrates, which mainly originates from the modulation of oxygen ion transfer in SrTiO3 surface by external electric field in the vicinity of interface, whereas the LaAlO3 film acts as a barrier layer. © 2010 American Institute...

  17. Tuning the dead-layer behavior of La0.67Sr0.33MnO3/SrTiO3 via interfacial engineering (United States)

    Peng, R.; Xu, H. C.; Xia, M.; Zhao, J. F.; Xie, X.; Xu, D. F.; Xie, B. P.; Feng, D. L.


    The dead-layer behavior, deterioration of the bulk properties in near-interface layers, restricts the applications of many oxide heterostructures. We present the systematic study of the dead-layer in La0.67Sr0.33MnO3/SrTiO3 grown by ozone-assisted molecular beam epitaxy. Dead-layer behavior is systematically tuned by varying the interfacial doping, while unchanged with varied doping at any other atomic layers. In situ photoemission and low energy electron diffraction measurements suggest intrinsic oxygen vacancies at the surface of ultra-thin La0.67Sr0.33MnO3, which are more concentrated in thinner films. Our results show correlation between interfacial doping, oxygen vacancies, and the dead-layer, which can be explained by a simplified electrostatic model.

  18. Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

    KAUST Repository

    Nazir, Safdar


    Density functional theory is used to study the electronic properties of the oxide heterointerfaceCaHfO3/SrTiO3. Structural relaxation is carried out with and without O vacancies. As compared to related interfaces, strongly reduced octahedral distortions are found. Stoichiometric interfaces between the wide band gap insulatorsCaHfO3 and SrTiO3 turn out to exhibit an insulating state. However, interface metallicity is introduced by O vacancies, in agreement with experiment. The reduced octahedral distortions and necessity of O deficiency indicate a less complicated mechanism for the creation of the interfacial electron gas.

  19. Conductivity and structure of sub-micrometric SrTiO3-YSZ composites

    DEFF Research Database (Denmark)

    Ruiz Trejo, Enrique; Thydén, Karl Tor Sune; Bonanos, Nikolaos


    of the SrTiO3 is attributed to the presence of Na. The consolidated composites were studied by impedance spectroscopy between 200 and 400°C and at a fixed temperature of 600°C with a scan in the partial pressure of oxygen. The composites did not exhibit high levels of ionic conductivity in the grain...... boundary nor the bulk. The conductivity of Na-free composites shows lower levels of conductivity than pure YSZ, while samples with Na showed increased conductivity. The conductivity of SrTiO3 exhibited an enhancement attributed to p-type conductivity, although contributions from protons cannot...

  20. Structure-Property Relation of SrTiO3/LaAlO3 Interfaces

    NARCIS (Netherlands)

    Huijben, Mark; Brinkman, Alexander; Koster, Gertjan; Rijnders, Augustinus J.H.M.; Hilgenkamp, Johannes W.M.; Blank, David H.A.


    A large variety of transport properties have been observed at the interface between the insulating oxides SrTiO3 and LaAlO3 such as insulation, 2D interface metallicity, 3D bulk metallicity, magnetic scattering, and superconductivity. The relation between the structure and the properties of the

  1. Controlling the Carrier Density of SrTiO3-Based Heterostructures with Annealing

    DEFF Research Database (Denmark)

    Christensen, Dennis Valbjørn; von Soosten, Merlin; Trier, Felix


    The conducting interface between the insulating oxides LaAlO3 (LAO) and SrTiO3 (STO) displays numerous physical phenomena that can be tuned by varying the carrier density, which is generally achieved by electrostatic gating or adjustment of growth parameters. Here, it is reported how annealing in...

  2. Resonant soft x-ray scattering from stepped surfaces of SrTiO3

    NARCIS (Netherlands)

    Schlappa, J.; Chang, C.F.; Hu, Z.; Schierle, E.; Ott, H.; Weschke, E.; Kaindl, G.; Huijben, Mark; Rijnders, Augustinus J.H.M.; Blank, David H.A.; Tjeng, L.H.; Schüssler-Langeheine, C.


    We studied the resonant diffraction signal from stepped surfaces of SrTiO3 at the Ti 2p ¿ 3d (L2,3) resonance in comparison with x-ray absorption (XAS) and specular reflectivity data. The steps on the surface form an artificial superstructure suitable as a model system for resonant soft x-ray

  3. Charge modulated interfacial conductivity in SrTiO3-based oxide heterostructures

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Stamate, Eugen; Pryds, Nini


    When depositing amorphous SrTiO3 (STO) films on crystalline STO substrates by pulsed laser deposition, metallic interfaces are observed, though both materials are band-gap insulators. The interfacial conductivity exhibits strong dependence on oxygen pressure during film growth, which is closely...

  4. EPR of photochromic Mo3+ in SrTiO3

    NARCIS (Netherlands)

    Kool, Th.W.


    In single crystals of SrTiO_3, a paramagnetic center, characterized by S = 3/2 and hyperfine interaction with an I = 5/2 nuclear spin has been observed in the temperature range 4.2K-77K by means of EPR. The impurity center is attributed to Mo3+. No additional line splitting in the EPR spectrum due

  5. Resistance switching of the interfacial conductance in amorphous SrTiO3 heterostructures

    DEFF Research Database (Denmark)

    Christensen, Dennis; Trier, Felix; Chen, Yunzhong

    Complex oxides have attracted a lot of interest recently as this class of material exhibits a plethora of remarkable properties. In particular, a great variety of properties is observed in the heterostructure composed of lanthanum aluminate (LaAlO3) and strontium titanate (SrTiO3). For instance...

  6. Metal-to-insulator transition in LaAl1 -xCrxO3/SrTiO3 oxide heterostructures guided by electronic reconstruction (United States)

    Kumar, Pramod; Pal, Prabir; Shukla, A. K.; Pulikkotil, J. J.; Dogra, Anjana


    Despite continuous efforts, a conceptual perception on the origin of quasi-two-dimensional electron gas (q-2DEG) in oxide heterostructures remains far from any generalization. Along this perspective, a systematic study identifying systems that exhibit heterointerface conductivity (LaAlO3/SrTiO3 ) and that do not (LaCrO3/SrTiO3 ) is undertaken. High quality LaAl1 -xCrxO3 (0 ≤x ≤1 ) films were fabricated on TiO2 terminated SrTiO3 (001) substrates using a pulsed laser deposition technique and its growth was monitored by reflection high energy electron diffraction (RHEED). The transport and photoemission spectroscopy experiments reveal that the the origin of heterointerface q-2DEG is associated with Ti3 + states and that it ceases to exist with increasing Cr ion concentration in the overlayer films. Following experimental evidences of the Cr concentration dependent metal-insulator electronic phase transition at the heterointerface, explanation is sought within the realms of a polar catastrophe model. Based on our transport and spectroscopy measurements, we propose that an electronic reconstruction drives the formation of q-2DEG for pristine LAO/STO and Al rich samples due to the formation of Ti3 +/Ti4 + mixed valent state, while for heavily doped Cr samples, the required electron count necessary to solve the polar catastrophe instability are trapped in the LaAl1 -xCrxO3 overlayers in the Cr 3 d states. These trapped electrons in the overlayers are manifested in the form of Cr2 + ions.

  7. Microscopic characterization of Fe nanoparticles formed on SrTiO3(001 and SrTiO3(110 surfaces

    Directory of Open Access Journals (Sweden)

    Miyoko Tanaka


    Full Text Available Fe nanoparticles grown on SrTiO3 (STO {001} and {110} surfaces at room temperature have been studied in ultrahigh vacuum by means of transmission electron microscopy and scanning tunnelling microscopy. It was shown that some Fe nanoparticles grow epitaxially. They exhibit a modified Wulff shape: nanoparticles on STO {001} surfaces have truncated pyramid shapes while those on STO {110} surfaces have hexagonal shapes. From profile-view TEM images, approximate values of the adhesion energy of the nanoparticles for both shapes are obtained.

  8. Efficient dual-wavelength excitation of Tb3+ emission in rare-earth doped KYF4 cubic nanocrystals dispersed in silica sol-gel matrix (United States)

    del-Castillo, J.; Yanes, A. C.; Santana-Alonso, A.; Méndez-Ramos, J.


    Energy transfer from Ce3+ to Tb3+ ions under UV excitation, giving rise to visible emissions, is investigated in sol-gel derived transparent nano-glass-ceramics containing cubic KYF4 nanocrystals, for different doping concentrations of rare-earth ions. Moreover, visible emissions of Tb3+ are also obtained under near-infrared excitation through energy transfer from Yb3+ ions by means of cooperative up-conversion processes. Thus, Ce3+-Tb3+-Yb3+ doped nano-glass-ceramics can be activated in a dual-wavelength mode yielding efficient blue-green emissions of particular interest in photovoltaic silicon solar cells and white-light emitting diodes.

  9. Symmetry and Non-empirical Calculations of Structure and Properties of Single- and Double-Wall SrTiO3 Nanotubes (United States)

    Evarestov, R. A.; Bandura, A. V.

    A large-scale first-principles simulation of the structure and stability of SrTiO3 single- and double-wall nanotubes with different chiralities has been performed for the first time using the periodic PBE0 LCAO method. The initial structures of nanotubes have been obtained by rolling up slabs consisting of two and four alternating (001) SrO and TiO2 planes. In the majority of the considered cases the inner or outer TiO2 shells of 4-layer nanotubes undergo a considerable reconstruction due to shrinkage or stretching of interatomic distances. Double-wall nanotubes constructed from 2-layer single-wall nanotubes with the intertube distance less than 4.5-5.0 Å merge to stable polyhedron-shaped tubular objects consisting of blocks with a distorted cubic perovskite structure.

  10. A versatile light-switchable nanorod memory: Wurtzite ZnO on perovskite SrTiO3

    KAUST Repository

    Kumar, Anup Bera


    Integrating materials with distinct lattice symmetries and dimensions is an effective design strategy toward realizing novel devices with unprecedented functionalities, but many challenges remain in synthesis and device design. Here, a heterojunction memory made of wurtzite ZnO nanorods grown on perovskite Nb-doped SrTiO3 (NSTO) is reported, the electronic properties of which can be drastically reconfigured by applying a voltage and light. Despite of the distinct lattice structures of ZnO and NSTO, a consistent nature of single crystallinity is achieved in the heterojunctions via the low-temperature solution-based hydrothermal growth. In addition to a high and persistent photoconductivity, the ZnO/NSTO heterojunction diode can be turned into a versatile light-switchable resistive switching memory with highly tunable ON and OFF states. The reversible modification of the effective interfacial energy barrier in the concurrent electronic and ionic processes most likely gives rise to the high susceptibility of the ZnO/NSTO heterojunction to external electric and optical stimuli. Furthermore, this facile synthesis route is promising to be generalized to other novel functional nanodevices integrating materials with diverse structures and properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. UV-femtosecond laser ablation of SrTiO3 single crystals (United States)

    Zoppel, S.; Gray, D.; Farsari, M.; Merz, R.; Reider, G. A.; Fotakis, C.


    We have investigated the ablation behaviour of single crystal SrTiO3 with focus on the influence of the pulse duration at a wavelength of 248 nm. The experiments were performed with KrF-excimer lasers with pulse durations of 34 ns and 500 fs, respectively. Femtosecond-ablation turns out to be more efficient by one order of magnitude and to eliminate the known problem of cracking of SrTiO3 during laser machining with longer pulses [1],[2]. In addition, the cavities ablated with femtosecond pulses display a smoother surface with no indication of melting and well-defined, sharp edges. These effects can be explained by the reduced thermal shock effect on the material by using ultrashort pulses.

  12. From flexoelectricity to absolute deformation potentials: The case of SrTiO$_3$


    Stengel, Massimiliano


    Based on recent developments in the first-principles theory of flexoelectricity, we generalize the concept of absolute deformation potential to arbitrary nonpiezoelectric insulators and deformation fields. To demonstrate our formalism, we calculate the response of the band edges of SrTiO$_3$ to both dynamic (sound waves) and static (bending) mechanical loads, respectively at the bulk level and in a slab geometry. Our results have important implications for the understanding of strain-gradient...

  13. Enhanced coercivity in Co-doped α-Fe2O3 cubic nanocrystal assemblies prepared via a magnetic field-assisted hydrothermal synthesis

    Directory of Open Access Journals (Sweden)

    Kinjal Gandha


    Full Text Available Ferromagnetic Co-doped α-Fe2O3 cubic shaped nanocrystal assemblies (NAs with a high coercivity of 5.5 kOe have been synthesized via a magnetic field (2 kOe assisted hydrothermal process. The X-ray diffraction pattern and Raman spectra of α-Fe2O3 and Co-doped α-Fe2O3 NAs confirms the formation of single-phase α-Fe2O3 with a rhombohedral crystal structure. Electron microscopy analysis depict that the Co-doped α-Fe2O3 NAs synthesized under the influence of the magnetic field are consist of aggregated nanocrystals (∼30 nm and of average assembly size 2 μm. In contrast to the NAs synthesized with no magnetic field, the average NAs size and coercivity of the Co-doped α-Fe2O3 NAs prepared with magnetic field is increased by 1 μm and 1.4 kOe, respectively. The enhanced coercivity could be related to the well-known spin–orbit coupling strength of Co2+ cations and the redistribution of the cations. The size increment indicates that the small ferromagnetic nanocrystals assemble into cubic NAs with increased size in the magnetic field that also lead to the enhanced coercivity.

  14. Enhanced coercivity in Co-doped α-Fe2O3 cubic nanocrystal assemblies prepared via a magnetic field-assisted hydrothermal synthesis (United States)

    Gandha, Kinjal; Mohapatra, Jeotikanta; Poudyal, Narayan; Elkins, Kevin; Liu, J. Ping


    Ferromagnetic Co-doped α-Fe2O3 cubic shaped nanocrystal assemblies (NAs) with a high coercivity of 5.5 kOe have been synthesized via a magnetic field (2 kOe) assisted hydrothermal process. The X-ray diffraction pattern and Raman spectra of α-Fe2O3 and Co-doped α-Fe2O3 NAs confirms the formation of single-phase α-Fe2O3 with a rhombohedral crystal structure. Electron microscopy analysis depict that the Co-doped α-Fe2O3 NAs synthesized under the influence of the magnetic field are consist of aggregated nanocrystals (˜30 nm) and of average assembly size 2 μm. In contrast to the NAs synthesized with no magnetic field, the average NAs size and coercivity of the Co-doped α-Fe2O3 NAs prepared with magnetic field is increased by 1 μm and 1.4 kOe, respectively. The enhanced coercivity could be related to the well-known spin-orbit coupling strength of Co2+ cations and the redistribution of the cations. The size increment indicates that the small ferromagnetic nanocrystals assemble into cubic NAs with increased size in the magnetic field that also lead to the enhanced coercivity.

  15. Nonvolatile resistive switching in Pt/laALO3/srTiO3 heterostructures

    KAUST Repository

    Wu, S.


    Resistive switching heterojunctions, which are promising for nonvolatile memory applications, usually share a capacitorlike metal-oxide-metal configuration. Here, we report on the nonvolatile resistive switching in Pt/LaAlO3/SrTiO3 heterostructures, where the conducting layer near the LaAlO3/SrTiO3 interface serves as the "unconventional"bottom electrode although both oxides are band insulators. Interestingly, the switching between low-resistance and high-resistance states is accompanied by reversible transitions between tunneling and Ohmic characteristics in the current transport perpendicular to the planes of the heterojunctions. We propose that the observed resistive switching is likely caused by the electric-field-induced drift of charged oxygen vacancies across the LaAlO3/SrTiO3 interface and the creation of defect-induced gap states within the ultrathin LaAlO3 layer. These metal-oxide-oxide heterojunctions with atomically smooth interfaces and defect-controlled transport provide a platform for the development of nonvolatile oxide nanoelectronics that integrate logic and memory devices.

  16. Nonvolatile Resistive Switching in Pt/LaAlO_{3}/SrTiO_{3} Heterostructures

    Directory of Open Access Journals (Sweden)

    Shuxiang Wu


    Full Text Available Resistive switching heterojunctions, which are promising for nonvolatile memory applications, usually share a capacitorlike metal-oxide-metal configuration. Here, we report on the nonvolatile resistive switching in Pt/LaAlO_{3}/SrTiO_{3} heterostructures, where the conducting layer near the LaAlO_{3}/SrTiO_{3} interface serves as the “unconventional” bottom electrode although both oxides are band insulators. Interestingly, the switching between low-resistance and high-resistance states is accompanied by reversible transitions between tunneling and Ohmic characteristics in the current transport perpendicular to the planes of the heterojunctions. We propose that the observed resistive switching is likely caused by the electric-field-induced drift of charged oxygen vacancies across the LaAlO_{3}/SrTiO_{3} interface and the creation of defect-induced gap states within the ultrathin LaAlO_{3} layer. These metal-oxide-oxide heterojunctions with atomically smooth interfaces and defect-controlled transport provide a platform for the development of nonvolatile oxide nanoelectronics that integrate logic and memory devices.

  17. Unveiling a two-dimensional electron gas with universal subbands at the surface of SrTiO3


    Santander-Syro, A. F.; Copie, O.; Kondo, T.; Fortuna, F.; Pailhes, S.; Weht, R.; Qiu, X. G.; Bertran, F.; Nicolaou, A.; Taleb-Ibrahimi, A.; Fevre, P. Le; Herranz, G.; Bibes, M.; Apertet, Y.; Lecoeur, P.


    Similar to silicon that is the basis of conventional electronics, strontium titanate (SrTiO3) is the bedrock of the emerging field of oxide electronics. SrTiO3 is the preferred template to create exotic two-dimensional (2D) phases of electron matter at oxide interfaces, exhibiting metal-insulator transitions, superconductivity, or large negative magnetoresistance. However, the physical nature of the electronic structure underlying these 2D electron gases (2DEGs) remains elusive, although its ...

  18. Top-seeded solution growth of SrTiO3 single crystals virtually free of mosaicity (United States)

    Guguschev, Christo; Kok, Dirk J.; Juda, Uta; Uecker, Reinhard; Sintonen, Sakari; Galazka, Zbigniew; Bickermann, Matthias


    Strontium titanate (SrTiO3), a well-established traditional perovskite substrate as well as a promising substrate crystal for the epitaxy of new advanced perovskite-type thin films, suffers from the unavailability in adequate quality for the latter. To improve the situation attempts have been made to grow SrTiO3 at moderate temperatures (memory devices and to allow an in-depth analysis of intrinsic and extrinsic factors influencing the properties of epitaxially grown oxide heterostructures.

  19. An Understanding of the Photocatalytic Properties and Pollutant Degradation Mechanism of SrTiO3 Nanoparticles. (United States)

    da Silva, Luís F; Lopes, Osmando F; de Mendonça, Vagner R; Carvalho, Kele T G; Longo, Elson; Ribeiro, Caue; Mastelaro, Valmor R


    Strontium titanate nanoparticles have attracted much attention due to their physical and chemical properties, especially as photocatalysts under ultraviolet irradiation. In this paper, we analyze the effect of heating rate during the crystallization process of SrTiO3 nanoparticles in the degradation of organic pollutants. The relationship between structural, morphological and photocatalytic properties of the SrTiO3 nanoparticles was investigated using different techniques. Transmission electron microscopy and N2 adsorption results show that particle size and surface properties are tuned by the heating rate of the SrTiO3 crystallization process. The SrTiO3 nanoparticles showed good photoactivity for the degradation of methylene blue, rhodamine B and methyl orange dyes, driven by a nonselective process. The SrTiO3 sample with the largest particle size exhibited higher photoactivity per unit area, independent of the molecule to be degraded. The results pointed out that the photodegradation of methylene blue dye catalyzed by SrTiO3 is caused by the action of valence band holes (direct pathway), and the indirect mechanism has a negligible effect, i.e. degradation by O2 (-•) and (•) OH radicals attack. © 2016 The American Society of Photobiology.

  20. Evidence of weak superconductivity at the room-temperature grown LaAlO3/SrTiO3 interface

    DEFF Research Database (Denmark)

    Prawiroatmodjo, G. E. D. K.; Trier, Felix; Christensen, Dennis Valbjørn


    The two-dimensional electron gas at the crystalline LaAlO3/SrTiO3 (c-LAO/STO) interface has sparked large interest due to its exotic properties, including an intriguing gate-tunable superconducting phase. While there is growing evidence of pronounced spatial inhomogeneity in the conductivity at STO......-based interfaces, the consequences for superconductivity remain largely unknown. We study interfaces based on amorphous LAO top layers grown at room temperature (a-LAO/STO) and demonstrate a superconducting phase similar to c-LAO/STO, however, with a gate-tunable critical temperature of 460 mK. The dependence...... of the superconducting critical current on temperature, magnetic field, and back-gate-controlled doping is found to be consistently described by a model of a random array of Josephson-coupled superconducting domains....

  1. Infiltrated SrTiO3:FeCr-based anodes for metalsupported SOFC

    DEFF Research Database (Denmark)

    Blennow Tullmar, Peter; Persson, Åsa Helen; Nielsen, Jimmi

    electronically conducting layers, into which electrocatalytically active materials are infiltrated after sintering. This paper presents the first results on single cell testing of 25 cm2 cells with 16 cm2 active area of a metal-supported SOFC were the anode backbone consists of a composite of Nbdoped SrTiO3 (STN...... changes occurring in the anode layer during testing. The results indicate that the STN component in the anode seems to have a positive effect on the corrosion stability of the FeCr-particles in the anode layer....

  2. Infiltrated SrTiO3:FeCr-based anodes for metalsupported SOFC

    DEFF Research Database (Denmark)

    Blennow Tullmar, Peter; Persson, Åsa Helen; Nielsen, Jimmi


    electronically conducting layers, into which electrocatalytically active materials are infiltrated after sintering. This paper presents the first results on single cell testing of 25 cm2 cells with 16 cm2 active area of a metal-supported SOFC were the anode backbone consists of a composite of Nbdoped SrTiO3 (STN...... changes occurring in the anode layer during testing. The results indicate that the STN component in the anode seems to have a positive effect on the corrosion stability of the FeCr-particles in the anode layer....

  3. Depth resolved domain mapping in tetragonal SrTiO3 by micro-Laue diffraction (United States)

    Merz, T. A.; Noad, H.; Xu, R.; Inoue, H.; Liu, W.; Hikita, Y.; Vailionis, A.; Moler, K. A.; Hwang, H. Y.


    We present depth resolved X-ray micro-Laue diffraction experiments on the low temperature domain structure of SrTiO3. At 80 K, monochromatic X-ray diffraction shows an elongated out-of-plane unit cell axis within a matrix of in-plane oriented tetragonal unit cells. Full deviatoric strain mappings from white beam diffraction show a dominance of two tetragonal domain orientations (x- and z-axes) over a large area of sample surface. This information sets an upper bound on domain wall widths and offers a method for studying 3D domain structure at low temperatures.

  4. Room temperature 2D electron gas at the (001)-SrTiO3 surface (United States)

    Gonzalez, Sara; Mathieu, Claire; Copie, Olivier; Feyer, Vitaliy; Schneider, Claus M.; Barrett, Nicholas


    Functional oxides and phenomena such as a 2D electron gas (2DEG) at oxide interfaces represent potential technological breakthroughs for post-CMOS electronics. Non-invasive techniques are required to study the surface chemistry and electronic structure, underlying their often unique electrical properties. The sensitivity of photoemission electron microscopy to chemistry and electronic structure makes it an invaluable tool for probing the near surface region of microscopic regions and domains of functional materials. We present results demonstrating a room temperature 2DEG at the (001)-SrTiO3 surface. The 2DEG is switched on by soft X-ray irradiation.

  5. Diversity of hydrogen configuration and its roles in SrTiO3−δ

    Directory of Open Access Journals (Sweden)

    Yoshiki Iwazaki


    Full Text Available As a source of carrier electron, various configurations of hydrogen in SrTiO3 are searched by using first-principles calculations. The most stable form of hydrogen is found to be H−, where doubly charged oxygen vacancy VO2+ changes into singly charged HO+. Most importantly, an additional H− is found to be weakly trapped by HO+, which completely neutralizes carrier electrons by forming (2HO0. These unexpected behaviors of hydrogen, which can explain reported experimental results, expand the role of the hydrogen in carrier-control technology in transition-metal oxides.

  6. Ab initio study of the oxygen vacancy in SrTiO3 (United States)

    Astala, R.; Bristowe, P. D.


    The electrical properties of SrTiO3 are strongly dependent on the oxygen vacancy concentration. We have studied the atomic and electronic properties of a single oxygen vacancy using a local spin density approximation-plane-wave pseudopotential method. The total energies, relaxed geometries, valence charge and spin densities, and densities of electron states are calculated for different charge states of the vacancy. The doubly positively charged state is found to be the most stable. With some charge states, a spin-polarized defect state is observed. Furthermore, we have evaluated the formation energy of the vacancy in the OO→VO + ½O2 process.

  7. Ferroelectricity of strained SrTiO3 in lithium tetraborate glass-nanocomposite and glass-ceramic (United States)

    Abdel-Khalek, E. K.; Mohamed, E. A.; Kashif, I.


    Glass-nanocomposite (GNCs) sample of the composition [90Li2B4O7-10SrTiO3] (mol %) was prepared by conventional melt quenching technique. The glassy phase and the amorphous nature of the GNCs sample were identified by Differential thermal analysis (DTA) and X-ray diffraction (XRD) studies, respectively. DTA of the GNCs exhibits sharp and broad exothermic peaks which represent the crystallization of Li2B4O7 and SrTiO3, respectively. The tetragonal Li2B4O7 and tetragonal SrTiO3 crystalline phases in glass-ceramic (GC) were identified by XRD and scanning electron microscopic (SEM). The strain tetragonal SrTiO3 phase in GNCs and GC has been confirmed by SEM. The values of crystallization activation energies (Ec1 and Ec2) for the first and second exothermic peaks are equal to 174 and 1452 kJ/mol, respectively. The Ti3+ ions in tetragonal distorted octahedral sites in GNCs were identified by optical transmission spectrum. GNCs and GC samples exhibit broad dielectric anomalies at 303 and 319 K because of strained SrTiO3 ferroelectric, respectively.

  8. A novel structural expansion in SrTiO3 tuned by electric field and visible-light

    Directory of Open Access Journals (Sweden)

    Y. Li


    Full Text Available SrTiO3 is a model perovskite oxide of abundant physical properties, which are closely associated with internal oxygen vacancy (VO defects. Through in situ X-ray diffraction measurements, we observed a remarkable structural expansion in the near-surface region of (001-SrTiO3 induced by an external electric field. By repeated scanning and consistently monitoring the 002 reflections, forming process of the unique structural distortion was obtained and considered to be the results of electromigration and redistribution of VOs. Peculiarly, it was found that a much greater lattice distortion would occur rapidly in SrTiO3 under the illumination of visible light, and be effectively tuned depending on wavelength. We propose that the light effect stems from photo-excitation, which generates extra carriers and remarkably speeds up the diffusion of VOs. This work provides a feasible way towards tuning the kinetics of VOs and structure of SrTiO3 by combined stimuli of electric field and light illumination, yielding novel properties in above films as well as hetero-interface at SrTiO3-based oxide system.

  9. Spatial distribution of the doped electrons in cubic Sr1 -xLaxMnO3 (x ≤0.04 ) oxides probed by 87Sr NMR (United States)

    Germov, A.; Trokiner, A.; Volkova, Z.; Mikhalev, K.; Gerashenko, A.; Verkhovskii, S.; Korolev, A.; Leonidov, I.; Konstantinova, E.; Kozhevnikov, V.


    The spin density of doped electrons was investigated by 87Sr NMR in the paramagnetic (PM) and antiferromagnetic (AF) G-type phases of electron-doped Sr1 -xLaxMnO3 (x =0.00 , 0.02, 0.04; TN=236 -200 K) ceramics with the cubic structure. It is shown that the 87Sr NMR shift is proportional to the local density of the itinerant doped electrons surrounding the Sr sites; these electrons have mainly the eg character. In the PM phase, all the doped electrons are itinerant; however, they are inhomogeneously distributed in the La-containing oxides, creating electron-doped regions (EDRs) with a number of eg electrons per Mn larger than in the rest of the oxide. At room temperature, the network of the overlapping EDRs does not cover all Sr sites. Nevertheless, the number of the Sr sites inside an EDR exceeds the site percolation threshold even for x =0.02 , so that the eg electrons can move on large distances. In the AF phase, below 80 K the EDRs cover the entire crystal. In this T range the doped electrons separate into two species: some of them slow down their motion and form below 50 K static FM domains, which are considered as bound magnetic polarons (MPs) of small size with the effective moment peff=23 (10 ) μB and a MP formation energy ˜40 meV . The second species concerns the electrons which remain itinerant at low temperature participating in the fast hopping in the AF G-type ordered lattice of the Mn4 + ions. Nevertheless, their motion is slower than what is expected in an AF metal phase without cation disorder; this is probably due to the imperfect shielding of the (La3 +/Sr2 +) charge disorder.

  10. Structural and Magnetic Properties of LaCoO3/SrTiO3 Multilayers. (United States)

    Zhang, Hongrui; Zhang, Jing; Yang, Huaiwen; Lan, Qianqian; Hong, Deshun; Wang, Shufang; Shen, Xi; Khan, Tahira; Yu, Richeng; Sun, Jirong; Shen, Baogen


    Structural and magnetic properties of the LaCoO3/SrTiO3 (LCO/STO) multilayers (MLs) with a fixed STO layer of 4 nm but varied LCO layer thicknesses have been systematically studied. The MLs grown on Sr0.7La0.3Al0.65Ta0.35O3 (LSAT) and SrTiO3 (STO) exhibit the in-plane lattice constant of the substrates, but those on LaAlO3 (LAO) show the in-plane lattice constant between those of the first two kinds of MLs. Compared with the LCO single layer (SL), the magnetic order of the MLs is significantly enhanced, as demonstrated by a very slow decrease, which is fast for the SL, of the Curie temperature and the saturation magnetization as the LCO layer thickness decreases. For example, clear ferromagnetic order is observed in the ML with the LCO layer of ∼1.5 nm, whereas it vanishes below ∼6 nm for the LCO SL. This result is consistent with the observation that the dark stripes, which are believed to be closely related to the magnetic order, remain clear in the MLs while they are vague in the corresponding LCO SL. The present work suggests a novel route to tune the magnetism of perovskite oxide films.

  11. Ultrafast Optical Response of Graphene/LaAlO3/SrTiO3 Nanostructures (United States)

    Chen, Lu; Jnawali, Giriraj; Huang, Mengchen; Hsu, Jen-Feng; Bi, Feng; Lee, Hyungwoo; Ryu, Sangwoo; Eom, Chang-Beom; D'Urso, Brian; Irvin, Patrick; Levy, Jeremy


    The exceptional electronic and optical properties of graphene make it promising for tunable plasmonic device applications in the terahertz regime. Plasmons can be induced in graphene by femtosecond laser excitation and its resonance frequency can be tuned over a broad terahertz range by varying the graphene pattern size or gate voltage. Recently, generation, and detection of broadband terahertz (around 10 THz) radiation from 10-nm-scale LaAlO3/SrTiO3 nanostructures created by conductive atomic force microscope (c-AFM) lithography has been demonstrated. This unprecedented control of THz radiation at 10 nm length scales creates a pathway toward hybrid THz functionality in graphene/LaAlO3/SrTiO3 nanostructures. We will discuss efforts to probe graphene plasmonics and its tunability by using this nanoscale THz spectrometer. We gratefully acknowledge financial support from the following agencies and grants: AFOSR FA9550-12-1-0268 (JL, PRI),AFOSR FA9550-12-1-0342 (CBE)), ONR N00014-13-1-0806 (JL, CBE), and NSF DMR-1124131 (JL, CBE), DMR-1104191 (JL) and DMR-1234096 (CBE).

  12. Surface effects on the photoconducting properties of SrTiO3 thin films (United States)

    Bachi, N.; Bridoux, G.; Villafuerte, M.; Ferreyra, J. M.; Kim, J.; Figueroa, C.; Heluani, S. P.


    We report a study of the photoconducting properties of semiconducting SrTiO3 thin films. The photoconducting spectrum shows a pronounced rise around 3.2 eV with a typical indirect gap dependence, involving a transversal optical phonon of 25 meV. While these features remain unaltered under the influence of an applied electric field in ambient conditions, in a vacuum the rest of the spectrum does not, shifting to lower energies for higher electric fields. Time dependent photoconductivity response while illumination is applied confirms the loss of efficiency of the 3.7 eV transition. At low-temperatures, the photoconducting spectrum at low-electric fields has striking similarities to the ones at room-temperature for high-electric fields. This ability to control the photoconducting response through external parameters is explained considering a model of a downward band bending generated by oxygen vacancies at the surface in concomitant with recent findings at the surface of SrTiO3.

  13. Switchable Induced Polarization in LaAlO3/SrTiO3 Heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Bark, C [University of Wisconsin, Madison; Sharma, P. [University of Nebraska; Wang, Y. [University of Nebraska; Baek, Seung Hyub [University of Wisconsin, Madison; Lee, S. [University of Wisconsin, Madison; Ryu, S. [University of Wisconsin, Madison; Folkman, C H [University of Wisconsin; Paudel, Tula R [ORNL; Kumar, Amit [ORNL; Kalinin, Sergei V [ORNL; Sokolov, A. [University of Nebraska; Tsymbal, E Y [University of Nebraska, Lincoln; Rzchowski, M [University of Wisconsin; Gruverman, Alexei [ORNL; Eom, Professor Chang-Beom [University of Wisconsin, Madison


    Demonstration of a tunable conductivity of the LaAlO3/SrTiO3 interfaces drew significant attention to the development of oxide electronic structures where electronic confinement can be reduced to the nanometer range. While the mechanisms for the conductivity modulation are quite different and include metal insulator phase transition and surface charge writing, generally it is implied that this effect is a result of electrical modification of the LaAlO3 surface (either due to electrochemical dissociation of surface adsorbates or free charge deposition) leading to the change in the twodimensional electron gas (2DEG) density at the LaAlO3/SrTiO3 (LAO/STO) interface. In this paper, using piezoresponse force microscopy we demonstrate a switchable electromechanical response of the LAO overlayer, which we attribute to the motion of oxygen vacancies through the LAO layer thickness. These electrically induced reversible changes in bulk stoichiometry of the LAO layer are a signature of a possible additional mechanism for nanoscale oxide 2DEG control on LAO/STO interfaces.

  14. Properties of epitaxial LaMnO3/SrTiO3 interfaces. (United States)

    Christen, Hans M.; Kim, Dae Ho; Lee, Ho Nyung; Varela, Maria; Petit, Leon; Schulthess, Thomas


    Electronic effects at interfaces between dissimilar oxides are known to have fundamental consequences on their transport and magnetic properties. Interfaces between the band insulator SrTiO3 and the antiferromagnetic charge-transfer insulator LaMnO3 provide a particularly interesting platform to test such effects. Both perovskites are grown epitaxially by pulsed-laser deposition, and electron energy loss spectra (EELS) collected in a scanning transmission electron microscope (STEM) show interfacial valence changes on the Mn-sites, while Ti remains in a 4+ state even in direct contact with the LaO layer of the LaMnO3. This observation is fully consistent with computational results obtained for such structures using the self-interaction corrected (SIC) local spin density (LSD) method. In this presentation, we discuss the physical origin and consequences of these valence changes in single interfaces as well as LaMnO3/SrTiO3 superlattices. This research was sponsored by the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. Department of Energy, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory (ORNL), managed and operated by UT-Battelle, LLC, and ORNL's Laboratory Directed Research and Development Program.

  15. First-principle-based computational doping of SrTiO3 using ...

    Indian Academy of Sciences (India)


    Feb 1, 2018 ... tributed power generation, electric vehicles, portable power for military and consumer electronics such as smart phones. In recent years, studies on SOFC have significantly expanded due to its broad application area [3]. One of the main issues of current SOFCs is that they have to run at high temperature.

  16. First-Principle based Computational Doping of SrTiO 3 Using ...

    Indian Academy of Sciences (India)


    electric vehicles, portable power for military and consumer electronics such as smart phones. In recent years, studies on SOFC have significantly expanded due to its broad application area [3]. One of the main issues of current SOFC is that they have to run at high temperature. However, high temperature operation of SOFC ...

  17. Memristive Behavior Based on Ba-Doped SrTiO3 Films (United States)

    Dou, Gang; Yu, Yang; Guo, Mei; Zhang, Yu-Man; Sun, Zhao; Li, Yu-Xia


    Not Available Supported by the National Natural Science Foundation of China under Grant No 61473177, the Research Fund for the Doctoral Program of Higher Education of China under Grant Nos 2013371812009 and 20133718110011, the Natural Science Foundation of Shandong Province under Grant No ZR2014FQ006, the China Postdoctoral Science Foundation under Grant No 2015M582114, the Shandong Postdoctoral Special Foundation under Grant No 201502017, the Qingdao Science and Technology Plan Project under Grant No 15-9-1-39-jch, and the Qingdao Postdoctoral Science Foundation.

  18. Above room-temperature ferromagnetism in La1-xCaxMnO3 epitaxial thin films on SrTiO3(001) substrates (United States)

    Kou, Yunfang; Wang, Hui; Miao, Tian; Wang, Yanmei; Xie, Lin; Wang, Shasha; Liu, Hao; Lin, Hanxuan; Zhu, Yinyan; Wang, Wenbin; Du, Haifeng; Pan, Xiaoqing; Wu, Ruqian; Yin, Lifeng; Shen, Jian

    The colossal magnetoresistive (CMR) manganites are popular materials for spintronics applications due to their high spin polarization. Only a couple of manganites like La1-xSrxMnO3 have a Curie temperature (Tc) that is higher than room temperature. Finding methods to raise the Tc of manganites over room temperature is useful but challenging. In this work, we use the most intensively studied La1-xCaxMnO3 (LCMO) as the prototype system to demonstrate that Tc can be greatly enhanced by carefully tuning the electronic structure using doping and strain. Specifically, we grow LCMO films on SrTiO3 (001) substrates using pulsed laser deposition. Magnetic and transport measurements indicate a great enhancement of Tc over room temperature at x =0.2 doping. Theoretical calculations indicate that the combined effects from doping and strain give rise to a new electronic structure favoring ferromagnetism in LCMO system. Furthermore, using the La0.8Ca0.2MnO3 as ferromagnetic electrodes, we achieve finite tunneling magnetoresistance (TMR) above room temperature.

  19. Electric field effects in graphene/LaAlO3/SrTiO3 heterostructures and nanostructures

    Directory of Open Access Journals (Sweden)

    Mengchen Huang


    Full Text Available We report the development and characterization of graphene/LaAlO3/SrTiO3 heterostructures. Complex-oxide heterostructures are created by pulsed laser deposition and are integrated with graphene using both mechanical exfoliation and transfer from chemical-vapor deposition on ultraflat copper substrates. Nanoscale control of the metal-insulator transition at the LaAlO3/SrTiO3 interface, achieved using conductive atomic force microscope lithography, is demonstrated to be possible through the graphene layer. LaAlO3/SrTiO3-based electric field effects using a graphene top gate are also demonstrated. The ability to create functional field-effect devices provides the potential of graphene-complex-oxide heterostructures for scientific and technological advancement.

  20. Electric field effects in graphene/LaAlO3/SrTiO3 heterostructures and nanostructures (United States)

    Huang, Mengchen; Jnawali, Giriraj; Hsu, Jen-Feng; Dhingra, Shonali; Lee, Hyungwoo; Ryu, Sangwoo; Bi, Feng; Ghahari, Fereshte; Ravichandran, Jayakanth; Chen, Lu; Kim, Philip; Eom, Chang-Beom; D'Urso, Brian; Irvin, Patrick; Levy, Jeremy


    We report the development and characterization of graphene/LaAlO3/SrTiO3 heterostructures. Complex-oxide heterostructures are created by pulsed laser deposition and are integrated with graphene using both mechanical exfoliation and transfer from chemical-vapor deposition on ultraflat copper substrates. Nanoscale control of the metal-insulator transition at the LaAlO3/SrTiO3 interface, achieved using conductive atomic force microscope lithography, is demonstrated to be possible through the graphene layer. LaAlO3/SrTiO3-based electric field effects using a graphene top gate are also demonstrated. The ability to create functional field-effect devices provides the potential of graphene-complex-oxide heterostructures for scientific and technological advancement.

  1. Visible-light-enhanced gating effect at the LaAlO3/SrTiO3 interface

    DEFF Research Database (Denmark)

    Lei, Y.; Li, Y.; Chen, Yunzhong


    Electrostatic gating field and light illumination are two widely used stimuli for semiconductor devices. Via capacitive effect, a gate field modifies the carrier density of the devices, while illumination generates extra carriers by exciting trapped electrons. Here we report an unusual illumination......-enhanced gating effect in a two-dimensional electron gas at the LaAlO3/SrTiO3 interface, which has been the focus of emergent phenomena exploration. We found that light illumination decreases, rather than increases, the carrier density of the gas when the interface is negatively gated through the SrTiO3 layer...

  2. Spin-Orbit-Enhanced Functionality in LaAlO3/SrTiO3 Nanostructures (United States)


    two- dimensional electron gas and conductivity switching of nanowires at the LaAlO3/SrTiO3 interface grown by 90° off-axis sputtering," Applied...rectangular area that is 200 nm wide. Transport experiments are performed as a function of a plane-perpendicular magnetic field up to 50 kOe, and as a... insulator transition of the LaAlO3/SrTiO3 interface with a conductive-atomic force microscope (c-AFM) technique has enabled a variety of electrical and

  3. Picosecond ultrafast pulsed laser deposition of SrTiO3 (United States)

    Pervolaraki, M.; Mihailescu, C. N.; Luculescu, C. R.; Ionescu, P.; Dracea, M. D.; Pantelica, D.; Giapintzakis, J.


    SrTiO3 particle-composed films were grown on Si substrates via picosecond ultrafast pulsed laser deposition. We have investigated the effect of laser pulse repetition rate (0.2-8.2 MHz) and fluence (0.079-1.57 J cm-2) on the morphology, crystallinity and stoichiometry of the films. X-ray diffraction, energy dispersive X-ray spectroscopy and Rutherford backscattering spectroscopy measurements demonstrated that the as-grown films were nearly stoichiometric and composed of large particles when a pulse repetition rate of 0.2 MHz was employed. However, at the higher repetition rate of 8.2 MHz the particle size decreased and the stoichiometry was altered. Finally, we attribute the formation of micron-size particle-composed films to the slow translation speed in relation to the high pulse repetition rates (kHz-MHz regime).

  4. Octahedral rotations in strained LaAlO3/SrTiO3 (001 heterostructures

    Directory of Open Access Journals (Sweden)

    T. T. Fister


    Full Text Available Many complex oxides display an array of structural instabilities often tied to altered electronic behavior. For oxide heterostructures, several different interfacial effects can dramatically change the nature of these instabilities. Here, we investigate LaAlO3/SrTiO3 (001 heterostructures using synchrotron x-ray scattering. We find that when cooling from high temperature, LaAlO3 transforms from the Pm3¯m to the Imma phase due to strain. Furthermore, the first 4 unit cells of the film adjacent to the substrate exhibit a gradient in rotation angle that can couple with polar displacements in films thinner than that necessary for 2D electron gas formation.

  5. Theoretical models of Rashba spin splitting in asymmetric SrTiO3-based heterostructures (United States)

    van Heeringen, L. W.; McCollam, A.; de Wijs, G. A.; Fasolino, A.


    Rashba spin splitting in two-dimensional (2D) semiconductor systems is generally calculated in a k .p Luttinger-Kohn approach where the spin splitting due to asymmetry emerges naturally from the bulk band structure. In recent years, several new classes of 2D systems have been discovered where electronic correlations are believed to have an important role. In these correlated systems, the effects of asymmetry leading to Rashba splitting have typically been treated phenomenologically. We compare these two approaches for the case of 2D electron systems in SrTiO3-based heterostructures, and find that the two models produce fundamentally different behavior in regions of the Brillouin zone that are particularly relevant for magnetotransport. Our results demonstrate the importance of identifying the correct approach in the quantitative interpretation of experimental data, and are likely to be relevant to a range of 2D systems in correlated materials.

  6. The role of titanium at the SrTiO3/GaAs epitaxial interface (United States)

    Meunier, B.; Bachelet, R.; Grenet, G.; Botella, C.; Regreny, P.; Largeau, L.; Penuelas, J.; Saint-Girons, G.


    We study the role of a Ti surface treatment applied to the As-terminated GaAs (001) substrate surface prior to SrTiO3 (STO) epitaxial growth by comparing STO/GaAs samples prepared with and without Ti interlayers. Reflection high energy electron diffraction, transmission electron microscopy and x-ray photoelectron spectroscopy are used to assess the structural and chemical properties of the layers and interfaces. Without Ti interlayer, a polycrystalline TiGa compound is formed near the interface. It significantly degrades STO structural properties. A Ti interlayer efficiently prevents the formation of this unwanted compound by limiting As desorption from the GaAs substrate during STO growth. It improves significantly the structural quality of the oxide layer.

  7. Growing LaAlO3/SrTiO3 interfaces by sputter deposition

    Directory of Open Access Journals (Sweden)

    I. M. Dildar


    Full Text Available Sputter deposition of oxide materials in a high-pressure oxygen atmosphere is a well-known technique to produce thin films of perovskite oxides in particular. Also interfaces can be fabricated, which we demonstrated recently by growing LaAlO3 on SrTiO3 substrates and showing that the interface showed the same high degree of epitaxy and atomic order as is made by pulsed laser deposition. However, the high pressure sputtering of oxides is not trivial and number of parameters are needed to be optimized for epitaxial growth. Here we elaborate on the earlier work to show that only a relatively small parameter window exists with respect to oxygen pressure, growth temperature, radiofrequency power supply and target to substrate distance. In particular the sensitivity to oxygen pressure makes it more difficult to vary the oxygen stoichiometry at the interface, yielding it insulating rather than conducting.

  8. One-step electrospinning route of SrTiO3-modified Rutile TiO2nanofibers and its photocatalytic properties (United States)

    Zhao, Weijie; Zhang, Jing; Pan, Jiaqi; Qiu, Jianfeng; Niu, Jiantao; Li, Chaorong


    The SrTiO3 modified rutile TiO2 composite nanofibers were synthesized by a simple electrospinning technique. The result of XRD, SEM and TEM indicate that the SrTiO3/TiO2 heterojuction has been prepared successfully. Compared with the TiO2 and SrTiO3, the photocatalytic activity of the SrTiO3/TiO2 (rutile) for the degradation of methyl orange exhibits an obvious enhancement under UV illumination. which is almost 2 times than that of bare TiO2 (rutile) nanofiber. Further, the high crystallinity and photon-generated carrier separation of the SrTiO3/TiO2 heterojuction are considered as the main reason for this enhancement.

  9. Magnetocrystalline anisotropy of Fe and Co slabs and clusters on SrTiO3 by first-principles

    DEFF Research Database (Denmark)

    Li, Dongzhe; Barreteau, Cyrille; Smogunov, Alexander


    In this paper, we present a detailed theoretical investigation of the electronic and magnetic properties of ferromagnetic slabs and clusters deposited on SrTiO3 via first-principles calculations, with a particular emphasis on the magnetocrystalline anisotropy (MCA). We found that in the case of Fe...

  10. The atomic surface structure of SrTiO3 (001) studied with synchrotron X-rays

    NARCIS (Netherlands)

    Vonk, V.; Konings, S.; van Hummel, G.J.; Harkema, Sybolt; Graafsma, H


    The atomic surface structure of single terminated SrTiO3(0 0 1) (1 × 1) is investigated employing surface X-ray diffraction. In order to obtain these surfaces a special treatment is needed consisting of chemical etching and annealing. Since this is done in an aqueous and subsequently oxygen

  11. Impact of cleaning methods on the structural properties and morphology of SrTiO3 surface (United States)

    Arnay, Iciar; Rubio-Zuazo, Juan; Castro, German R.


    SrTiO3 is a widely used substrate for the epitaxial growth of complex systems. Nevertheless, in order to get good quality interface and avoid the formation of defects in the adsorbed layer it is essential to prepare the surface of the substrate prior to the deposition. Thermal and chemical treatments are mostly used to eliminate superficial contamination and improve the surface quality. However, there is a lack of information regarding the impact of these treatments on the formation of structural defects at the SrTiO3 surface. In this work we present a detailed characterization of the SrTiO3 surface for the different cleaning methods paying special attention to the formation of oxygen vacancies, large surface mosaicity and roughness. We prove that thermal treatment induces large surface roughness and that chemical etching produces important structural defects at the surface. Our results show that mechanical polishing provided the best compromise in terms of large surface domains, low roughness, absence of oxygen vacancies and absence of atomic structure modification, although with the presence of low level of contaminants at the SrTiO3 surface.

  12. A first principles study of Nd doped cubic LaAlO{sub 3} perovskite: mBJ+U study

    Energy Technology Data Exchange (ETDEWEB)

    Sandeep, E-mail: [Dept. of Physics, Mizoram University, Aizawl 796004 (India); Rai, D.P. [Dept. of Physics, Pachhunga University College, Aizawl, Mizoram 796001 (India); Shankar, A. [Department of Physics, University of North Bengal, Darjeeling 734013 (India); Ghimire, M.P. [Condensed Matter Physics Research Center, Butwal-13, Rupandehi, Lumbini (Nepal); Khenata, R. [Laboratoire de Physique Quantique et de Modlisation Mathmatique (LPQ3M), Dpartement de Technologie, Universit de Mascara, 29000 Mascara (Algeria); Thapa, R.K. [Dept. of Physics, Mizoram University, Aizawl 796004 (India)


    The structural, electronic and magnetic properties of Nd-doped Rare earth aluminate, La{sub 1−x}Nd{sub x}AlO{sub 3} (x=0–100%) are studied using the full potential linearized augmented plane-wave (FP-LAPW) method within the density functional theory. The effects of Nd substitution in LaAlO{sub 3} are studied using super-cell calculations. The electronic structures were computed using modified Beck Johnson (mBJ) potential based approximation with the inclusion of Coulomb energy (U) for Nd-4f state electrons. The La{sub 1−x}Nd{sub x}AlO{sub 3} may possess half metallic behavior on Nd doping with finite density of states at E{sub F}. The direct and indirect band gaps were studied as a function of Nd concentration in LaAlO{sub 3}. The calculated magnetic moments in La{sub 1−x}Nd{sub x}AlO{sub 3} were found to arise mainly from the Nd-4f state electrons. A probable half-metallic nature is suggested for these systems with supportive integral magnetic moments and high spin polarized electronic structures in these doped cases at E{sub F}. The controlled decrease in band gap with increase in concentration of Nd doping is a suitable technique for harnessing useful spintronic and magnetic devices. - Highlights: • Electronic and magnetic properties of La{sub 1−x}Nd{sub x}AlO{sub 3} to study the effect of doping (x=0%, 25%, 50%, 75% and 100%) is carried out using DFT. • Theoretically calculated U was used in the mBJ+U approximation in order to stress accuracy in band-gap determination along with electron correlation effects in rare earth ions. • A high DOS at E{sub F} for certain doping concentrations in one spin channel with insulting DOS in the other channel supported their probable use as spintronic devices. • The change in doping concentration was found suitable for rare earth aluminates for desirable properties through band-gap tuning.

  13. Structural characterization of niobium oxide thin films grown on SrTiO3 (111) and (La,Sr)(Al,Ta)O3 (111) substrates (United States)

    Dhamdhere, Ajit R.; Hadamek, Tobias; Posadas, Agham B.; Demkov, Alexander A.; Smith, David J.


    Niobium oxide thin films have been grown by molecular beam epitaxy on SrTiO3 (STO) (111) and (La0.18Sr0.82)(Al0.59Ta0.41)O3 (LSAT) (111) substrates. Transmission electron microscopy (TEM) confirmed the formation of high quality films with coherent interfaces. Films grown with higher oxygen pressure on STO (111) resulted in a (110)-oriented NbO2 phase with a distorted rutile structure, which can be described as body-centered tetragonal. The a lattice parameter of NbO2 was determined to be ˜13.8 Å in good agreement with neutron diffraction results published in the literature. Films grown on LSAT (111) at lower oxygen pressure produced the NbO phase with a defective rock salt cubic structure. The NbO lattice parameter was determined to be a ≈ 4.26 Å. The film phase/structure identification from TEM was in good agreement with in situ x-ray photoelectron spectroscopy measurements that confirmed the dioxide and monoxide phases, respectively. The atomic structure of the NbO2/STO and NbO/LSAT interfaces was determined based on comparisons between high-resolution electron micrographs and image simulations.

  14. Effect of lithium ion doping on cubic Gd{sub 1.88}Eu{sub 0.12}O{sub 3}: Enhancement of photoluminescence and thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Yipu; Shimokawa, Yohei; Ishihara, Yasutaka [Department of Frontier Materials, Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Miao, Lei; Tanemura, Sakae [Key Laboratory for Renewable Energy, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640 (China); Iwamoto, Yuji [Department of Frontier Materials, Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)


    Li{sup +}-doped cubic Gd{sub 1.88}Eu{sub 0.12}O{sub 3} powders were synthesized at 1200 °C by the solid state reaction method. Under excitation of the charge transfer band of Eu{sup 3+} at 245 nm, the Gd{sub 1.88}Eu{sub 0.12}O{sub 3} exhibited a dominant photoluminescence (PL) red emission peak at 611 nm, which is attributed to the electric dipole transition {sup 5}D{sub 0}→{sup 7}F{sub 2} of Eu{sup 3+}. The dominant PL red emission peak intensity increased with Li{sup +} doping and reached a maximum in the range from 12 to 16 mol%. This intensity was approximately 3 times higher than that of undoped Gd{sub 1.88}Eu{sub 0.12}O{sub 3}. Chemical composition analysis revealed that the Li{sup +} species was completely evaporated from the samples by the heat treatment up to 1200 °C. However, during the heat treatment at 600–1000 °C, the doped Li{sup +} could promote formation of a liquid phase, which enhanced the crystallite growth of cubic Gd{sub 1.88}Eu{sub 0.12}O{sub 3} by Ostwald ripening. The thermal stability of the cubic Gd{sub 1.88}Eu{sub 0.12}O{sub 3} was also improved with respect to the amount of Li{sup +} doping. Even after annealing at 1300 °C (higher than the cubic/monoclinic phase transformation temperature of 1250 °C) for 72 h, X-ray diffraction pattern analysis indicated that the relative fraction of the cubic phase in the 12 mol% Li{sup +}-doped sample was as high as 90%. The relationship between the amount of Li{sup +} doping and the asymmetric ratio evaluated for the PL emission spectrum and PL quantum efficiency of the cubic Gd{sub 1.88}Eu{sub 0.12}O{sub 3} samples suggested that, in addition to enhanced crystallite growth, the formation of additional oxygen vacancies promoted by Li{sup +} doping contributed to simultaneous enhancement in the PL red emission intensity and the thermal stability of cubic Gd{sub 1.88}Eu{sub 0.12}O{sub 3} investigated in this study. - Highlights: • The intensity of the Li{sup +} doped sample was 3 times higher

  15. Site-specific doping, tunable dielectric properties and intrinsic ...

    Indian Academy of Sciences (India)


    May 29, 2015 ... Home; Journals; Pramana – Journal of Physics; Volume 84; Issue 6. Site-specific doping, tunable dielectric properties and intrinsic paramagnetism in Mn-doped SrTiO3. D Choudhury. Volume 84 Issue 6 June ... D Choudhury1. Department of Physics, Indian Institute of Technology, Kharagpur 721 302, India ...

  16. Preparation and characterization of SrTiO3-Ag/AgCl hybrid composite with promoted plasmonic visible light excited photocatalysis (United States)

    Shen, Hongfang; Wei, Hongyu; Pan, Zhidong; Lu, Youjun; Wang, Yanmin


    An efficient visible light responsive photocatalyst hybrid composite SrTiO3-Ag/AgCl was prepared via hydrothermal method and subsequent chemical precipitation/in-situ photoreduction at room temperature. The phase structure, morphology, element mapping distribution, surface chemical composition, specific surface area, and light absorption ability of the samples were characterized. The transient photocurrent response and electrochemical impedance under visible light illumination indicate that SrTiO3-Ag/AgCl composite possesses a more intense photocurrent response and a smaller surface resistance than SrTiO3 and Ag/AgCl due to the lower electrons-holes recombination. SrTiO3-Ag/AgCl composite exhibits an obvious promoted visible light excited photovcatalytic activity in photodecomposition of methyl orange, rhodamine B and phenol, compared to SrTiO3 and Ag/AgCl. A possible photocatalytic mechanism was proposed, indicating that the synergistic effect of surface plasmonic resonance of Ag0 photoreduced from AgCl and decreased the recombination rate of photogenerated carriers through transferring electrons from the surface of Ag0 to SrTiO3 promote the excellent photocatalytic activity of SrTiO3-Ag/AgCl. Moreover, the photodegradation reaction process of methyl orange, rhodamine B and phenol on SrTiO3-Ag/AgCl follows the pseudo-first-order kinetic model, and the reaction rate constants are approximately 10 times greater than those on Ag/AgCl. Four-recycling photocatalytic process of methyl orange on SrTiO3-Ag/AgCl also indicates a superior stability and durability.

  17. Controlling the conductivity of amorphous LaAlO3/SrTiO3 interfaces by in-situ application of an electric field during fabrication

    DEFF Research Database (Denmark)

    Trier, Felix; Amoruso, S.; Christensen, Dennis Valbjørn


     ≤ 20 V) during film growth. By modulating the charge balance of the arriving plasma species, interfacial conduction of the amorphous-LaAlO3/SrTiO3 heterostructures shifts from metallic to insulating via a semiconducting-like characteristic transport mode. This remarkable behavior is explained...... by a modification of the Al-ion flux impinging the SrTiO3 surface, which alters the amount of near-interface oxygen vacancies being formed at the SrTiO3 surface....

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

    DEFF Research Database (Denmark)

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


    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...... 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....

  19. Effect of SrTiO3 on dielectric and piezoelectric properties of NBT (United States)

    Rajani Malathi, A.; Kumar, G. S.; Prasad, G.


    Composites of (1 - x)Na0.5Bi0.5TiO3-(x)SrTiO3, where x = 0.05, 0.10, 0.15, 0.2, 0.3 and 0.9 are studied. Individual compounds are synthesized by sol gel, and composites are prepared by solid-state sintering process. Through the analysis of X-ray diffraction, lattice parameters are obtained and, from scanning electron microscope (SEM), micro-structure of the samples is observed. The depolarization temperature (Td) and the Curie temperature (Tc) are determined from dielectric studies. Relaxor behavior of the samples is interpreted using modified Curie Weiss law. Control of polarization in sodium bismuth titanate (NBT) is achieved using strontium titanate (SrTiO3-ST) and studied through polarization vs. electric field (PE) loops and piezoelectric measurements. The intra-granual and inter-granual effects on the electrical properties of the ceramics are studied from impedance analysis.

  20. Bonding and structure of a reconstructed (001) surface of SrTiO3 from TEM. (United States)

    Zhu, Guo-zhen; Radtke, Guillaume; Botton, Gianluigi A


    The determination of the atomic structure and the retrieval of information about reconstruction and bonding of metal oxide surfaces is challenging owing to the highly defective structure and insulating properties of these surfaces. Transmission electron microscopy (TEM) offers extremely high spatial resolution (less than one ångström) and the ability to provide systematic information from both real and reciprocal space. However, very few TEM studies have been carried out on surfaces because the information from the bulk dominates the very weak signals originating from surfaces. Here we report an experimental approach to extract surface information effectively from a thickness series of electron energy-loss spectra containing different weights of surface signals, using a wedge-shaped sample. Using the (001) surface of the technologically important compound strontium titanate, SrTiO(3) (refs 4-6), as a model system for validation, our method shows that surface spectra are sensitive to the atomic reconstruction and indicate bonding and crystal-field changes surrounding the surface Ti cations. Very good agreement can be achieved between the experimental surface spectra and crystal-field multiplet calculations based on the proposed atomic surface structure optimized by density functional calculations. The distorted TiO(6-x) units indicated by the proposed model can be viewed directly in our high-resolution scanning TEM images. We suggest that this approach be used as a general method to extract valuable spectroscopic information from surface atoms in parallel with high-resolution images in TEM.

  1. Mechanical control of magnetism in oxygen deficient perovskite SrTiO3. (United States)

    Zhang, Yajun; Wang, Jie; Sahoo, M P K; Shimada, Takahiro; Kitamura, Takayuki


    Mechanical control of magnetism in perovskite oxides is an important and promising approach in spintronics. Based on the first-principles calculations, we demonstrate that a negative pressure leads to a great enhancement of magnetic moment in deficient SrTiO3 with oxygen vacancies, whereas a positive pressure results in the gradual disappearance of magnetism. Spin charge density, Bader charge analysis and electronic density of states successfully elucidate the origin and underlying physics of the enhancement and disappearance of magnetism. It is found that the split electronic states of dz(2), dyz and dzx in the 3d orbitals of Ti atoms remarkably contribute to the occupancy of majority spin states under negative pressure, which induces a large magnetic moment. Under positive pressure, however, the equal occupancy of both majority and minority t2g and eg states leads to the disappearance of magnetization. In addition, both negative and positive pressures can largely lower the vacancy formation enthalpy, suggesting that the oxygen vacancy is preferable with pressure. Our findings may provide a mechanism to achieve the pressure control of magnetization in nonmagnetic perovskite oxides.

  2. Dynamic interface rearrangement in LaFeO3/n -SrTiO3 heterojunctions (United States)

    Spurgeon, Steven R.; Sushko, Peter V.; Chambers, Scott A.; Comes, Ryan B.


    Thin-film synthesis methods that have developed over the past decades have unlocked emergent interface properties ranging from conductivity to ferroelectricity. However, our attempts to exercise precise control over interfaces are constrained by a limited understanding of growth pathways and kinetics. Here we demonstrate that shuttered molecular beam epitaxy induces rearrangements of atomic planes at a polar/nonpolar junction of LaFeO3 (LFO)/n -SrTiO3 (STO) depending on the substrate termination. Surface characterization confirms that substrates with two different (TiO2 and SrO) terminations were prepared prior to LFO deposition; however, local electron-energy-loss spectroscopy measurements of the final heterojunctions show a predominantly LaO/TiO2 interfacial junction in both cases. Ab initio simulations suggest that the interfaces can be stabilized by trapping extra oxygen (in LaO/TiO2) and forming oxygen vacancies (in FeO2/SrO), which points to different growth kinetics in each case and may explain the apparent disappearance of the FeO2/SrO interface. We conclude that judicious control of deposition time scales can be used to modify growth pathways, opening new avenues to control the structure and properties of interfacial systems.

  3. Oxygen partial pressure dependence of thermoelectric power factor in polycrystalline n-type SrTiO3: Consequences for long term stability in thermoelectric oxides (United States)

    Sharma, Peter A.; Brown-Shaklee, Harlan J.; Ihlefeld, Jon F.


    The Seebeck coefficient and electrical conductivity have been measured as functions of oxygen partial pressure over the range of 10-22 to 10-1 atm at 1173 K for a 10% niobium-doped SrTiO3 ceramic with a grain size comparable to the oxygen diffusion length. Temperature-dependent measurements performed from 320 to 1275 K for as-prepared samples reveal metallic-like conduction and good thermoelectric properties. However, upon exposure to progressively increasing oxygen partial pressure, the thermoelectric power factor decreased over time scales of 24 h, culminating in a three order of magnitude reduction over the entire operating range. Identical measurements on single crystal samples show negligible changes in the power factor so that the instability of ceramic samples is primarily tied to the kinetics of grain boundary diffusion. This work provides a framework for understanding the stability of thermoelectric properties in oxides under different atmospheric conditions. The control of the oxygen atmosphere remains a significant challenge in oxide thermoelectrics.

  4. Raman and fluorescence contributions to the resonant inelastic soft x-ray scattering on LaAlO3/SrTiO3 heterostructures (United States)

    Pfaff, F.; Fujiwara, H.; Berner, G.; Yamasaki, A.; Niwa, H.; Kiuchi, H.; Gloskovskii, A.; Drube, W.; Gabel, J.; Kirilmaz, O.; Sekiyama, A.; Miyawaki, J.; Harada, Y.; Suga, S.; Sing, M.; Claessen, R.


    We present a detailed study of the Ti 3 d carriers at the interface of LaAlO3/SrTiO3 heterostructures by high-resolution resonant inelastic soft x-ray scattering (RIXS), with special focus on the roles of overlayer thickness and oxygen vacancies. Our measurements show the existence of interfacial Ti 3 d electrons already below the critical thickness for conductivity. The (total) interface charge carrier density increases up to a LaAlO3 overlayer thickness of 6 unit cells before it levels out. Furthermore, we observe strong Ti 3 d charge carrier doping by oxygen vacancies. The RIXS data combined with photoelectron spectroscopy and transport measurements indicate the simultaneous presence of localized and itinerant charge carriers. At variance with previous interpretations, we show that in our excitation energy dependent RIXS measurements the amounts of localized and itinerant Ti 3 d electrons in the ground state do not scale with the intensities of the Raman and fluorescence peaks, respectively. Rather, we attribute the observation of either Raman components or fluorescence signal to the specific nature of the intermediate state reached in the RIXS excitation process.

  5. Parallel charge sheets of electron liquid and gas in La0.5Sr0.5TiO3/SrTiO3 heterostructures (United States)

    Renshaw Wang, X.; Sun, L.; Huang, Z.; Lü, W. M.; Motapothula, M.; Annadi, A.; Liu, Z. Q.; Zeng, S. W.; Venkatesan, T.; Ariando


    We show here a new phenomenon in La0.5Sr0.5TiO3/SrTiO3 (LSTO/STO) heterostructures; that is a coexistence of three-dimensional electron liquid (3DEL) and 2D electron gas (2DEG), separated by an intervening insulating LSTO layer. The two types of carriers were revealed through multi-channel analysis of the evolution of nonlinear Hall effect as a function of film thickness, temperature and back gate voltage. We demonstrate that the 3D electron originates from La doping in LSTO film and the 2D electron at the surface of STO is due to the polar field in the intervening insulating layer. As the film thickness is reduced below a critical thickness of 6 unit cells (uc), an abrupt metal-to-insulator transition (MIT) occurs without an intermediate semiconducting state. The properties of the LSTO layer grown on different substrates suggest that the insulating phase of the intervening layer is a result of interface strain induced by the lattice mismatch between the film and substrate. Further, by fitting the magnetoresistance (MR) curves, the 6 unit cell thick LSTO is shown to exhibit spin-orbital coupling. These observations point to new functionalities, in addition to magnetism and superconductivity in STO-based systems, which could be exploited in a multifunctional context.

  6. Elimination of cracking during UV laser ablation of SrTiO 3 single crystals by employing a femtosecond laser (United States)

    Zoppel, S.; Gray, D.; Farsari, M.; Merz, R.; Reider, G. A.; Fotakis, C.


    We have performed a comparative study of UV laser ablation of SrTiO 3 with nanosecond- and sub-picosecond sources, respectively. The experiments were performed with lasers at a wavelength of 248 nm and pulse durations of 34 ns and 500 fs. Femtosecond ablation turns out to be more efficient by one order of magnitude and eliminated the known problem of cracking of SrTiO 3 during laser machining with longer pulses. In addition, the cavities ablated with femtosecond pulses display a smoother surface with no indication of melting and well-defined, sharp edges. These effects can be explained by the reduced thermal shock effect on the material by using ultrashort pulses.

  7. Water adsorption on SrTiO3(001) studied by x-ray standing wave excited photoelectron spectroscopy (United States)

    Zegenhagen, Jorg; Solokha, Vladyslav; Wilson, Axel; Duncan, David; Garai, Debi; Hingerl, Kurt

    We investigated the nature of water adsorption and in particular the H2O and/or OH- bonding sites on different SrTiO3(001) surfaces using the powerful technique of standing wave excited photoelectron spectroscopy. This allowed us determining whether the H2O adsorption is associative or dissociative and additionally localizing the exact bonding site of the different oxygen species (water oxygen and OH- oxygen species). We deposited water in ultra high vacuum on several differently structured or reconstruction SrTiO3(001) surfaces in the range from 100K to room temperature. Our results provide valuable insight into water adsorption on STO(001) surfaces and its specific catalytic activity in view of water splitting applications. They also help clarify previous conflicting previous results.

  8. Superconducting epitaxial YBa2Cu3O7− δ on SrTiO3-buffered Si ...

    Indian Academy of Sciences (India)


    May 30, 2017 ... Home; Journals; Bulletin of Materials Science; Volume 41; Issue 1. Superconducting epitaxial YBa 2 Cu 3 O 7 − δ on SrTiO 3 -buffered Si(001). K AHMADI-MAJLAN H ZHANG X SHEN M J MOGHADAM M CHRYSLER P CONLIN R HENSLEY D SU J Y T WEI J H NGAI. Volume 41 Issue 1 February 2018 ...

  9. Domain Wall Damping and Elastic Softening in SrTiO3: Evidence for Polar Twin Walls (United States)

    Scott, J. F.; Salje, E. K. H.; Carpenter, M. A.


    A marked change in anelastic properties, namely, elastic softening accompanied by increased damping, has been observed in a single crystal of SrTiO3 below ˜50K by resonant ultrasound spectroscopy. This correlates with other subtle changes in structure and properties which have been explained in the past in terms of a novel quantum state and the formation of polar clusters in an incipient ferroelectric structure. Comparison of the new data, obtained at frequencies near 1 MHz, with mechanical spectroscopy data collected at a few Hz or a few kHz, reveals a distinct dispersion with frequency and is interpreted in terms of an acoustic loss mechanism which depends primarily on the mobility under stress of ferroelastic twin walls. In most ferroelastic materials, it is found that the twin walls become immobile below some low-temperature interval due to the pinning effects of defects. It is proposed instead for SrTiO3 that associated with the local atomic displacements within the incipient ferroelectric clusters is a change in structure of the twin walls such that their mobility becomes enhanced. We propose that the structural change is not correlated with structural changes of the bulk material but relates to increasing polarity of the walls. This interpretation implies that ferroelastic domain walls in SrTiO3 become ferroelectric at low temperatures.

  10. Electrochemically deposited Cu{sub 2}O cubic particles on boron doped diamond substrate as efficient photocathode for solar hydrogen generation

    Energy Technology Data Exchange (ETDEWEB)

    Mavrokefalos, Christos K. [Department of Chemistry, Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford, OX1 3TA, England (United Kingdom); Hasan, Maksudul, E-mail: [Department of Chemistry, Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford, OX1 3TA, England (United Kingdom); Tyndall National Institute, University College Cork, Lee Maltings, Cork (Ireland); Rohan, James F. [Tyndall National Institute, University College Cork, Lee Maltings, Cork (Ireland); Compton, Richard G. [Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QZ, England (United Kingdom); Foord, John S., E-mail: [Department of Chemistry, Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford, OX1 3TA, England (United Kingdom)


    Highlights: • Fabrication of low-cost photocathode by electrochemical method is described. • Boron-doped diamond is presented as catalyst support. • NiO nanoparticles on Cu{sub 2}O surface enhances photocurrent and electrode stability. • Synergy of metallic interaction between Cu and Ni leads to high efficiency. - Abstract: Herein, we report a novel photocathode for the water splitting reaction. The electrochemical deposition of Cu{sub 2}O particles on boron doped diamond (BDD) electrodes and the subsequent decoration with NiO nanoparticles by a dip coating method to act as co-catalyst for hydrogen evolution reaction is described. The morphology analysis by scanning electron microscope (SEM) revealed that Cu{sub 2}O particles are cubic and decorated sporadically with NiO nanoparticles. X-ray photoelectron spectroscopy (XPS) confirmed the electronic interaction at the interface between Cu{sub 2}O and NiO through a binding energy shift of the main Cu 2p peak. The photoelectrochemical (PEC) performance of NiO-Cu{sub 2}O/BDD showed a much higher current density (−0.33 mA/cm{sup 2}) and photoconversion efficiency (0.28%) compared to the unmodified Cu{sub 2}O/BDD electrode, which are only −0.12 mA/cm{sup 2} and 0.06%, respectively. The enhancement in PEC performance is attributable to the synergy of NiO as an electron conduction mediator leading to the enhanced charge separation and transfer to the reaction interface for hydrogen evolution as evidenced by electrochemical impedance spectroscopy (EIS) and charge carrier density calculation. Stability tests showed that the NiO nanoparticles loading content on Cu{sub 2}O surface is a crucial parameter in this regard.

  11. Relationship between Crystal Shape, Photoluminescence, and Local Structure in SrTiO3 Synthesized by Microwave-Assisted Hydrothermal Method

    Directory of Open Access Journals (Sweden)

    Luís F. da Silva


    Full Text Available This paper describes the effect of using different titanium precursors on the synthesis and physical properties of SrTiO3 powders obtained by microwave-assisted hydrothermal method. X-ray diffraction measurements, X-ray absorption near-edge structure (XANES spectroscopy, field emission scanning electron microscopy (FE-SEM, and high-resolution transmission electron microscopy (HRTEM were carried out to investigate the structural and optical properties of the SrTiO3 spherical and cubelike-shaped particles. The appropriate choice of the titanium precursor allowed the control of morphological and photoluminescence (PL properties of SrTiO3 compound. The PL emission was more intense in SrTiO3 samples composed of spherelike particles. This behavior was attributed to the existence of a lower amount of defects due to the uniformity of the spherical particles.

  12. Epitaxial growth of SrTiO3/YBa2Cu3O7 - x heterostructures by plasma-enhanced metalorganic chemical vapor deposition (United States)

    Liang, S.; Chern, C. S.; Shi, Z. Q.; Lu, P.; Safari, A.; Lu, Y.; Kear, B. H.; Hou, S. Y.


    We report heteroepitaxial growth of SrTiO3 on YBa2Cu3O7-x/LaAlO3 substrates by plasma-enhanced metalorganic chemical vapor deposition. X-ray diffraction results indicated that SrTiO3 films were epitaxially grown on a (001) YBa2Cu3O7-x surface with [100] orientation perpendicular to the surface. The film composition, with Sr/Ti molar ratio in the range of 0.9 to 1.1, was determined by Rutherford backscattering spectrometry and energy dispersive spectroscopy. The thickness of the SrTiO3 films is 0.1-0.2 μm. The epitaxial growth was further evidenced by high-resolution transmission electron microscopy and selected area diffraction. Atomically abrupt SrTiO3/YBa2Cu3O7-x interface and epitaxial growth with [100]SrTiO3∥[001]YBa2Cu3O7-x were observed in this study. The superconducting transition temperature of the bottom YBa2Cu3O7-x layer, as measured by ac susceptometer, did not significantly degrade after the growth of overlayer SrTiO3. The capacitance-voltage measurements showed that the dielectric constant of the SrTiO3 films was as high as 315 at a signal frequency of 100 KHz. The leakage current density through the SrTiO3 films is about 1×10-6 A/cm2 at 2-V operation. Data analysis on the current-voltage characteristic indicated that the conduction process is related to bulk-limited Poole-Frenkel emission.

  13. A nano-grid structure made of perovskite SrTiO3 nanowires for efficient electron transport layers in inverted polymer solar cells. (United States)

    Kim, Jeong Won; Suh, Yo-han; Lee, Chang-Lyoul; Kim, Yong Seok; Kim, Won Bae


    A nano-grid structure of perovskite SrTiO3 NWs is developed for a novel electron transport layer in inverted polymer solar cells. Due to the excellent charge transporting properties of the SrTiO3 nano-grid structure, the device employing this nanostructure showed ∼32% enhanced photovoltaic performance, compared to the solar cell using a TiO2 thin film.

  14. Integration of adsorption and reduction for uranium uptake based on SrTiO3/TiO2 electrospun nanofibers (United States)

    Hu, Lin; Yan, Xue-Wu; Zhang, Xue-Ji; Shan, Dan


    The integration of adsorption and reduction for uranium uptake via photoelectrochemical method was conducted based on hetero-structure SrTiO3/TiO2 electrospun nanofibers. The SrTiO3/TiO2 was fabricated by two steps. First, TiO2 nanofibers were prepared via electrospinning, and then the SrTiO3 cubes grew on the surface of TiO2 nanofibers to form heterostructure by in situ hydrothermal treatment. For the uranium uptake based on photoelectrochemical method, the FTO electrodes modified by SrTiO3/TiO2 electrospun nanofibers removed uranium concentration by 81 ppm, higher than TiO2 nanoparticles, SrTiO3 nanoparticles and TiO2 electrospun nanofibers (59 ppm, 40 ppm and 70 ppm respectively). Besides, the photocurrent of these materials was also measured through photoelectrochemical measurements. Meanwhile, surface analyses using various techniques (Scanning electron microscopic, Transmission electron microscope and X-ray photoelectron spectroscopy) was also performed. Finally, the mechanism of electron transfer between SrTiO3/TiO2 and uranium was proposed.

  15. Dislocations in SrTiO3: easy to reduce but not so fast for oxygen transport. (United States)

    Marrocchelli, Dario; Sun, Lixin; Yildiz, Bilge


    The effect of dislocations on the chemical, electrical and transport properties in oxide materials is important for electrochemical devices, such as fuel cells and resistive switches, but these effects have remained largely unexplored at the atomic level. In this work, by using large-scale atomistic simulations, we uncover how a ⟨100⟩{011} edge dislocation in SrTiO3, a prototypical perovskite oxide, impacts the local defect chemistry and oxide ion transport. We find that, in the dilute limit, oxygen vacancy formation energy in SrTiO3 is lower at sites close to the dislocation core, by as much as 2 eV compared to that in the bulk. We show that the formation of a space-charge zone based on the redistribution of charged oxygen vacancies can be captured quantitatively at atomistic level by mapping the vacancy formation energies around the dislocation. Oxide-ion diffusion was studied for a low vacancy concentration regime (ppm level) and a high vacancy concentration regime (up to 2.5%). In both cases, no evidence of pipe-diffusion, i.e., significantly enhanced mobility of oxide ions, was found as determined from the calculated migration barriers, contrary to the case in metals. However, in the low vacancy concentration regime, the vacancy accumulation at the dislocation core gives rise to a higher diffusion coefficient, even though the oxide-ion mobility itself is lower than that in the bulk. Our findings have important implications for applications of perovskite oxides for information and energy technologies. The observed lower oxygen vacancy formation energy at the dislocation core provides a quantitative and direct explanation for the electronic conductivity of dislocations in SrTiO3 and related oxides studied for red-ox based resistive switching. Reducibility and electronic transport at dislocations can also be quantitatively engineered into active materials for fuel cells, catalysis, and electronics.

  16. Molecular beam epitaxy of SrTiO3 on Si (001): Early stages of the growth and strain relaxation (United States)

    Niu, G.; Saint-Girons, G.; Vilquin, B.; Delhaye, G.; Maurice, J.-L.; Botella, C.; Robach, Y.; Hollinger, G.


    The molecular beam epitaxy of SrTiO3 (STO) layers on Si (001) is studied, focusing on the early stages of the growth and on the strain relaxation process. Evidence is given that even for optimized growth conditions, STO grows initially amorphous on silicon and recrystallizes, leading to the formation of an atomically abrupt heterointerface with silicon. Just after recrystallization, STO is partially strained. Further increase in its thickness leads to the onset of a progressive plastic relaxation mechanism. STO recovers its bulk lattice parameter for thicknesses of the order of 30 ML.

  17. Attractive electron-electron interactions at the LaAlO3/SrTiO3 Interface

    DEFF Research Database (Denmark)

    Prawiroatmodjo, Guenevere E D K

    The conducting interface between the two insulating oxides LaAlO3 and SrTiO3 (LAO/STO) exhibits many intriguing properties such as high mobility, a gate-tunable superconducting phase, ferroelectricity and ferromagnetism. In this thesis, devices are fabricated at the LAO/STO interface using novel...... state is found, and transport characteristics are described to originate from attractive electron-electron interactions that result in a negative effective charging energy U. Further, the excitation spectrum is explored and compared to calculations based on a single-orbital Anderson model with negative...

  18. Step velocity tuning of SrRuO3 step flow growth on SrTiO3


    Estève, D.; Maroutian, T.; Pillard, V.; Lecoeur, Ph.


    Taking advantage of vicinal (001) SrTiO3 substrates with different mean terrace widths, the heteroepitaxial growth of SrRuO3 in the step flow mode has been mapped as a function of mean step velocity. Transition between stable and unstable step flow is shown to occur at a well-defined critical step velocity, with a step bunching instability observed below this threshold. The ability to pass from unstable to stable step flow during growth upon increasing the mean step velocity is demonstrated. ...

  19. Fabrication of bimodal-pore SrTiO3 microspheres with excellent photocatalytic performance for Cr(VI) reduction under simulated sunlight. (United States)

    Yang, Dong; Sun, Yuanyuan; Tong, Zhenwei; Nan, Yanhu; Jiang, Zhongyi


    Solving the increasing contamination from toxic heavy metal ions in wastewater is an imperative issue in photocatalysis research area. In this study, three-dimensional (3D) porous SrTiO3 microspheres have been fabricated by a sol-gel-templating method using the agarose gel bead containing SrCO3 granules as the template. The resultant SrTiO3 microspheres, several tens of micrometers in diameter, exhibit a bimodal pore structure, in which the macropore about 70-150nm in size stems from SrCO3 granules and the mesopore about 3nm is formed via removing the agarose fiber embedded in the composite microspheres. The porous framework of SrTiO3 microspheres is assembled by regular single-crystalline SrTiO3 nanocubes with an edge length of 100±10nm. The highly interconnected porous network renders numerous pathways for the rapid mass transport, strong adsorption of reactants and multi-reflection of incident light. Moreover, the as-prepared SrTiO3 microspheres exhibit excellent photocatalytic performance for the Cr(VI) reduction under simulated sunlight, which can reduce nearly 100% Cr(VI) at pH 2 within 2h and retain a relatively high reduction ability after six recycles. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Superconducting properties of single and bilayer LaAlO3/SrTiO3 interfaces (United States)

    Gariglio, Stefano; Fete, Alexandre; Li, Danfeng; Liu, Wei; Boselli, Margherita; Reyren, Nicolas; Triscone, Jean-Marc


    The two-dimensional electron liquid present at the LaAlO3/SrTiO3 interface exhibits superconductivity and hosts a large spin-orbit interaction. Quite remarkably, both phenomena can be controlled by an electric field. In this work, we have mapped the evolution of the superconducting properties upon gate voltage tuning, revealing a surprising change in thickness of the superconducting layer across the phase diagram. Using a single LaAlO3/SrTiO3 interface, we have realized field effect transistors and estimated the characteristic lengths (the coherence length and the superconducting thickness) as a function of the gate voltage by measuring the critical magnetic fields in parallel and perpendicular geometry. We have also realized bilayer interfaces, where two superconducting liquids are separated by the LaAlO3 layer. In such structures, we have investigated the possible coupling of the two superconducting sheets, tuning one of the two by electric field. Funding from SNSF and ERC is acknowledged.

  1. Integration of SrTiO3 on crystallographically oriented epitaxial germanium for low-power device applications. (United States)

    Hudait, Mantu K; Clavel, Michael; Zhu, Yan; Goley, Patrick S; Kundu, Souvik; Maurya, Deepam; Priya, Shashank


    SrTiO3 integration on crystallographic oriented (100), (110), and (111) epitaxial germanium (Ge) exhibits a potential for a new class of nanoscale transistors. Germanium is attractive due to its superior transport properties while SrTiO3 (STO) is promising due to its high relative permittivity, both being critical parameters for next-generation low-voltage and low-leakage metal-oxide semiconductor field-effect transistors. The sharp heterointerface between STO and each crystallographically oriented Ge layer, studied by cross-sectional transmission electron microscopy, as well as band offset parameters at each heterojunction offers a significant advancement for designing a new generation of ferroelectric-germanium based multifunctional devices. Moreover, STO, when used as an interlayer between metal and n-type (4 × 10(18) cm(-3)) epitaxial Ge in metal-insulator-semiconductor (MIS) structures, showed a 1000 times increase in current density as well as a decrease in specific contact resistance. Furthermore, the inclusion of STO on n-Ge demonstrated the first experimental findings of the MIS behavior of STO on n-Ge.

  2. Role of interface structure and chemistry in resistive switching of NiO nanocrystals on SrTiO3

    Directory of Open Access Journals (Sweden)

    Xuan Cheng


    Full Text Available Nickel oxide (NiO nanocrystals epitaxially grown on (001 strontium titanate (SrTiO3 single crystal substrates were characterized to investigate interface morphology and chemistry. Aberration corrected high angle annular dark field scanning transmission electron microscopy reveals the interface between the NiO nanocrystals and the underlying SrTiO3 substrate to be rough, irregular, and have a lower average atomic number than the substrate or the nanocrystal. Energy dispersive x-ray spectroscopy and electron energy loss spectroscopy confirm both chemical disorder and a shift of the energy of the Ti L2,3 peaks. Analysis of the O K edge profiles in conjunction with this shift, implies the presence of oxygen vacancies at the interface. This sheds light into the origin of the previously postulated minority carriers’ model to explain resistive switching in NiO [J. Sullaphen, K. Bogle, X. Cheng, J. M. Gregg, and N. Valanoor, Appl. Phys. Lett. 100, 203115 (2012].

  3. On the origin of metallic conductivity at the interface of LaAlO3/SrTiO3

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Christensen, Dennis; Trier, Felix


    To determine the origin of the quasi-two-dimensional electron gas formed at the interface between the two complex oxides of LaAlO3 (LAO) and SrTiO3 (STO), various amorphous films of LAO, La2O3, Al2O3, and La7/8Sr1/8MnO3 (LSMO), were deposited on TiO2-terminated (0 0 1) STO substrates by pulsed...... laser deposition at room temperature. Metallic interfaces are observed when the over-layers are amorphous LAO, La2O3, or Al2O3, while insulating interfaces are observed when the over-layer is LSMO. The interfacial conductivity of these SrTiO3-based hetero-structures shows strong dependence on both film...... thickness and oxygen pressure during film growth. The possible origin for the occurrence of metallic interfaces in these complex oxide hetero-structures due to redox reactions at the STO substrate surface is discussed. A thermodynamic criterion for designing either metallic or insulating interfaces between...

  4. Systematic study of terahertz response of SrTiO3 based heterostructures: Influence of strain, temperature, and electric field (United States)

    Skoromets, V.; Kadlec, C.; Drahokoupil, J.; Schubert, J.; Hlinka, J.; Kužel, P.


    Epitaxial heterostructures consisting of a variable number of SrTiO3/DyScO3 bilayers deposited on DyScO3 substrates were investigated using time-domain terahertz spectroscopy down to helium temperatures. Interdigitated electrodes deposited on top of the structures allowed probing of the terahertz response upon an applied electric field. The phase transition into a ferroelectric state is observed in SrTiO3 films in all samples close to room temperature (between 250 and 310 K) due to in-plane epitaxial strain induced by the substrate and intercalated layers of DyScO3. Evolution of the dielectric spectra with temperature and external electric field is described by a general model which involves a damped harmonic oscillator (soft mode) coupled to a Debye relaxation (central mode). Both modes are connected with the soft mode eigenvector, as recently shown by molecular dynamics simulations, and they reflect a strong anharmonicity of the soft-mode potential. At high temperatures the soft-mode frequency variation drives all the changes observed in the spectra with temperature and applied field. At low temperatures, deep in the ferroelectric phase, the soft mode significantly hardens and loses its importance for the terahertz dynamics; the central mode becomes stronger and it almost completely determines the shape of the measured spectra. The observed variation of phase transition temperature and of the dielectric response among the structures is ascribed to a partial epitaxial strain relaxation confirmed also by x-ray diffraction.

  5. Charge transfer mechanism for the formation of metallic states at the KTaO3/SrTiO3 interface

    KAUST Repository

    Nazir, Safdar


    The electronic and optical properties of the KTaO3/SrTiO3 heterointerface are analyzed by the full-potential linearized augmented plane-wave approach of density functional theory. Optimization of the atomic positions points at subordinate changes in the crystal structure and chemical bonding near the interface, which is due to a minimal lattice mismatch. The creation of metallic interface states thus is not affected by structural relaxation but can be explained by charge transfer between transition metal and oxygen atoms. It is to be expected that a charge transfer is likewise important for related interfaces such as LaAlO3/SrTiO3. The KTaO3/SrTiO3 system is ideal for disentangling the complex behavior of metallic interface states, since almost no structural relaxation takes place.

  6. Effect of SiO2 buffer layers on the structure of SrTiO3 films grown on silicon by pulsed laser deposition


    Tejedor, P.; Fuenzalida, V. M.; Briones Fernández-Pola, Fernando


    Thin films of SrTiO3 were grown by pulsed laser deposition on Si and SiO2/Si at 35 and 650°C in a 50 mTorr oxygen discharge (300 V). The effect of introducing a SiO2 buffer layer between the Si substrate and the complex oxide on the crystallinity and microstructure of the SrTiO3 films was investigated at both deposition temperatures. All films grown at 35°C were amorphous. Surface morphology examination by scanning electron microscopy (SEM) showed that these films were continuous and homogene...

  7. Tailoring the nature and strength of electron-phonon interactions in the SrTiO$_3$(001) two-dimensional electron liquid


    Wang, Z.; Mckeown Walker, Siobhan; Tamai, Anna; Wang, Y.; Ristic, Z.; Bruno, Flavio Yair; de la Torre, Alberto; Ricco, Sara; Plumb, N. C.; M. Shi; Hlawenka, P.; Sánchez-Barriga, J.; A. Varykhalov; Kim, T. K.; Hoesch, M.


    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides1–4. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface5–7 to reveal a remarkably complex evolution of electron–phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface8–13, o...

  8. Structural position and charge state of nickel in SrTiO3 (United States)

    Sluchinskaya, I. A.; Lebedev, A. I.; Erko, A.


    The properties of nickel-doped strontium titanate are studied using X-ray diffraction and XAFS spectroscopy. It is shown that, independently of preparation conditions, the most stable phases in the samples are single-phase SrTi1 - x Ni x O3 solid solution and NiTiO3 which can coexist. According to the EXAFS data, in the single-phase SrTi0.97Ni0.03O3 sample the nickel atoms substitute the titanium atoms and are on-center ones. In this case, no distortions of the oxygen octahedron which would appear in the presence of oxygen vacancies in the nickel environment were detected. An analysis of the XANES spectra shows that the nickel charge state in NiTiO3 is 2+, whereas in the SrTi1 - x Ni x O3 solid solution it is close to 4+. It is shown that the strongest light absorption in doped samples is associated with the presence of tetravalent Ni in the SrTi1 - x Ni x O3 solid solution. This doping seems to be the most promising for solar energy converters based on the bulk photovoltaic effect.

  9. Blue luminescence of SrTiO3 under intense optical excitation (United States)

    Rubano, A.; Paparo, D.; Granozio, F. Miletto; Scotti di Uccio, U.; Marrucci, L.


    The blue-green photoluminescence emitted by pure and electron-doped strontium titanate under intense pulsed near-ultraviolet excitation is studied experimentally as a function of excitation intensity and temperature. Both emission spectra and time-resolved decays of the emission are measured and analyzed in the framework of simple phenomenological models. We find an interesting blue-to-green transition occurring for increasing temperatures in pure samples, which is absent in doped materials. The luminescence yield and decay rate measured as a function of temperature can be modeled well as standard activated behaviors. The leading electron-hole recombination process taking place in the initial decay is established to be second order, or bimolecular, in contrast to recent reports favoring a third-order interpretation as an Auger process. The temporal decay of the luminescence can be described well by a model based on two interacting populations of excitations, respectively identified with interacting defect-trapped (possibly forming excitons) and mobile charges. Finally, from the measured doping and sample dependence of the luminescence yield, we conclude that the radiative centers responsible for the luminescence are probably intrinsic structural defects other than bulk oxygen vacancies.

  10. Photoinduced modulation and relaxation characteristics in LaAlO3/SrTiO3 heterointerface

    KAUST Repository

    Jin, K. X.


    We report the modulation and relaxation characteristics in the two-dimensional electron gas system at LaAlO3/SrTiO3 heterointerface induced by the ultraviolet light illumination (365 nm). The suppression of Kondo effect at the interface illuminated by the light originates from the light irradiation-induced decoherence effect of localized states. It is interesting to note that the persistent and transient photoinduced effects are simultaneously observed and the photoinduced maximum change values in resistance are 80.8% and 51.4% at T = 20 K, respectively. Moreover, the photoinduced relaxation processes after the irradiation are systematically analyzed using the double exponential model. These results provide the deeper understanding of the photoinduced effect and the experimental evidence of tunable Kondo effect in oxides-based two-dimensional electron gas systems.

  11. Role of O defects at the BiMnO3/SrTiO3 interface (United States)

    Jilili, J.; Cossu, F.; Schwingenschlögl, U.


    We use first principles calculations to study ideal and O deficient BiMnO3/SrTiO3 superlattices. The ideal superlattice is characterized by parallel alignment of the Mn and Ti magnetic moments at the n-interface, while an antiparallel alignment has been reported experimentally. O defects at the n-interface are found to favor the MnO2 and BiO layers over the TiO2 layer. The band gap of the superlattice is strongly reduced when the MnO2 layer is O deficient and {d}3{z2-{r}2} states are observed at the Fermi energy when the BiO layer is O deficient. Only in the latter case the Mn and Ti magnetic moments at the n-interface align antiparallel. Therefore, O defects in the BiO layer turn out to be essential for reproducing the experimental interface magnetism and for understanding its mechanism.

  12. Glass and glass-ceramics along the SrTiO3-NaPO3 line

    Directory of Open Access Journals (Sweden)

    Sinouh H.


    Full Text Available The xSrTiO3-(1−xNaPO3 (x = 0−0.20 mol% glasses were prepared by the conventional melt-quenching method. The amorphous state of the samples was verified by X-ray diffraction. The glass-ceramic materials were obtained by the well known thermal controlled crystallization process. It is found that several physical properties such as the density, molar volume, and the glass transition temperature depend strongly on the chemical composition. Vickers test on the glasses showed that the micro-hardness increases with the SrTiO3 content. The structural approach of the glasses was realized by IR spectroscopy. This technique has highlighted the co-existence of different phosphate and titanium structural units in the glassy-matrix. Crystallization of the glasses was enhanced by heat treatments and followed by X-ray diffraction. A mechanism for this glass crystallization was proposed.

  13. Epitaxial stabilization of -Fe2O3 (00l) thin films on SrTiO3 (111)

    Energy Technology Data Exchange (ETDEWEB)

    Gich, Marti [Universitat de Barcelona; Gazquez, J. [Oak Ridge National Laboratory (ORNL); Roig, Anna [Universitat de Barcelona; Fontcuberta, Josep [Universitat de Barcelona; Idrobo Tapia, Juan C [ORNL; Pennycook, Stephen J [ORNL; Varela del Arco, Maria [ORNL; Skumryev, Vassil [Universitat Autonoma de Barcelona; Varela, Manuel [Universitat de Barcelona


    Thin films of the metastable and elusive -Fe2O3 have been epitaxially stabilized on SrTiO3 (111) substrates. The -Fe2O3 films present a (001) orientation perpendicular to the substrate and three in-plane domains measuring a few nanometers and showing atomically sharp interfaces. We argue that this domain structure, rather than the epitaxial-strain, plays an essential role in stabilizing the -Fe2O3 by minimizing the energy of (100) surfaces. The -Fe2O3 films show a large in-plane coercivity 8 kOe which combined with the magnetoelectric character claimed for this oxide may lead to novel applications in spintronics.

  14. High charge carrier density at the NaTaO3/SrTiO3 hetero-interface

    KAUST Repository

    Nazir, Safdar


    The formation of a (quasi) two-dimensional electron gas between the band insulators NaTaO3 and SrTiO3 is studied by means of the full-potential linearized augmented plane-wave method of density functional theory. Optimization of the atomic positions points to only small changes in the chemical bonding at the interface. Both the p-type (NaO)−/(TiO2)0 and n-type (TaO2)+/(SrO)0 interfaces are found to be metallic with high charge carrier densities. The effects of O vacancies are discussed. Spin-polarized calculations point to the formation of isolated O 2pmagnetic moments, located in the metallic region of the p-type interface.

  15. High mobility of the strongly confined hole gas in AgTaO3/SrTiO3

    KAUST Repository

    Nazir, Safdar


    A theoretical study of the two-dimensional hole gas at the (AgO)−/(TiO2)0 p-type interface in the AgTaO3/SrTiO3 (001) heterostructure is presented. The Ag 4d states strongly hybridize with the O 2p states and contribute to the hole gas. It is demonstrated that the holes are confined to an ultra thin layer (∼4.9Å) with a considerable carrier density of ∼1014cm−2. We estimate a hole mobility of 18.6 cm2 V−1 s−1, which is high enough to enable device applications.

  16. Synthesis of LaAlO3 by metal organic decomposition on SrTiO3 substrates (United States)

    Ampuero, J. L.; Iliescu, I.; Boudard, M.; Jamaoui, A.; Rapenne, L.; Jimenez, C.; Roussel, H.


    LaAlO3 (LAO) films on SrTiO3 (STO) substrates have been produced by metal organic decomposition using La(C5H7O2)3 and Al(C5H7O2)3 as precursors dissolved in propionic acid. The process consists of growing thin layers through dip coating and subsequent annealing. After testing different cationic ratios of La and Al, it was determined that an optimal ratio leads to a single LAO phase film that grows epitaxially (cube on cube) on top of the STO. This was shown by X-ray diffraction (XRD) and transmission electron microscopy (TEM) analyses. These analyses, as well as additional X-ray reflectivity analysis, also revealed that the LAO's thickness obtained in one dip ranges from 8 nm to 16 nm. Taking advantage of the epitaxial conditions, several layers can be stacked by successive dip coatings and annealing to form an epitaxial structure.

  17. Tunable Electron-Electron Interactions in LaAlO_{3}/SrTiO_{3} Nanostructures

    Directory of Open Access Journals (Sweden)

    Guanglei Cheng


    Full Text Available The interface between the two complex oxides LaAlO_{3} and SrTiO_{3} has remarkable properties that can be locally reconfigured between conducting and insulating states using a conductive atomic force microscope. Prior investigations of “sketched” quantum dot devices revealed a phase in which electrons form pairs, implying a strongly attractive electron-electron interaction. Here, we show that these devices with strong electron-electron interactions can exhibit a gate-tunable transition from a pair-tunneling regime to a single-electron (Andreev bound state tunneling regime where the interactions become repulsive. The electron-electron interaction sign change is associated with a Lifshitz transition where the d_{xz} and d_{yz} bands start to become occupied. This electronically tunable electron-electron interaction, combined with the nanoscale reconfigurability of this system, provides an interesting starting point towards solid-state quantum simulation.

  18. Phase segregation of superconductivity and ferromagnetism at the LaAlO3/SrTiO3 interface. (United States)

    Mohanta, N; Taraphder, A


    The highly conductive two-dimensional electron gas formed at the interface between insulating SrTiO3 and LaAlO3 shows low-temperature superconductivity coexisting with inhomogeneous ferromagnetism. The Rashba spin-orbit interaction with the in-plane Zeeman field of the system favors p(x) ± ip(y)-wave superconductivity at finite momentum. Owing to the intrinsic disorder at the interface, the role of spatial inhomogeneity in the superconducting and ferromagnetic states becomes important. We find that, for strong disorder, the system breaks up into mutually excluded regions of superconductivity and ferromagnetism. This inhomogeneity-driven electronic phase separation accounts for the unusual coexistence of superconductivity and ferromagnetism observed at the interface.

  19. Direct Observation of Sr Vacancies in SrTiO_{3} by Quantitative Scanning Transmission Electron Microscopy

    Directory of Open Access Journals (Sweden)

    Honggyu Kim


    Full Text Available Unveiling the identity, spatial configuration, and microscopic structure of point defects is one of the key challenges in materials science. Here, we demonstrate that quantitative scanning transmission electron microscopy (STEM can be used to directly observe Sr vacancies in SrTiO_{3} and to determine the atom column relaxations around them. By combining recent advances in quantitative STEM, including variable-angle, high-angle annular dark-field imaging and rigid registration methods, with frozen phonon multislice image simulations, we identify which Sr columns contain vacancies and quantify the number of vacancies in them. Picometer precision measurements of the surrounding atom column positions show that the nearest-neighbor Ti atoms are displaced away from the Sr vacancies. The results open up a new methodology for studying the microscopic mechanisms by which point defects control materials properties.

  20. Probing surface and bulk electrochemical processes on the LaAlO3-SrTiO3 interface

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Amit [ORNL; Arruda, Thomas M [ORNL; Kim, Yunseok [ORNL; Ivanov, Ilia N [ORNL; Jesse, Stephen [ORNL; Bark, C [University of Wisconsin, Madison; Bristowe, Nicholas C [University of Cambridge; Artacho, Emilio [University of Cambridge; Littlewood, Peter B [ORNL; Eom, Professor Chang-Beom [University of Wisconsin, Madison; Kalinin, Sergei V [ORNL


    Local electrochemical phenomena on the surfaces of LaAlO3-SrTiO3 heterostructure are explored using unipolar and bipolar dynamic electrochemical strain microscopy (D-ESM). The D-ESM suggests the presence of at least two distinct electrochemical processes, including fast reversible low-voltage process and slow high-voltage process. The latter process is associated with static surface deformations in the sub-nm regime. These behaviors are compared with Kelvin Probe Force Microscopy hysteresis data. The possible origins of observed phenomena are discussed and these studies suggest that charge-writing behavior in LAO-STO include strong surface/bulk electrochemical component and are more complicated than simple screening by surface adsorbates.

  1. Probing surface and bulk electrochemical processes on the LaAlO3-SrTiO3 interface. (United States)

    Kumar, Amit; Arruda, Thomas M; Kim, Yunseok; Ivanov, Ilia N; Jesse, Stephen; Bark, Chung W; Bristowe, Nicholas C; Artacho, Emilio; Littlewood, Peter B; Eom, Chang-Beom; Kalinin, Sergei V


    Local electrochemical phenomena on the surfaces of the LaAlO(3)-SrTiO(3) heterostructure are explored using unipolar and bipolar dynamic electrochemical strain microscopy (D-ESM). The D-ESM suggests the presence of at least two distinct electrochemical processes, including fast reversible low-voltage process and slow high-voltage process. The latter process is associated with static surface deformations in the sub-nanometer regime. These behaviors are compared with Kelvin probe force microscopy hysteresis data. The possible origins of observed phenomena are discussed, and these studies suggest that charge-writing behavior in LAO-STO includes a strong surface/bulk electrochemical component and is more complicated than simple screening by surface adsorbates.

  2. Transition metal substituted SrTiO3 perovskite oxides as promising functional materials for oxygen sensor (United States)

    Misra, Sunasira


    Modern industries employ several gases as process fluids. Leakage of these gases in the operating area could lead to undesirable consequences. Even in chemical industries, which use large quantities of inert gases in confined areas, accidental leakage of these process gases would result in the reduction of oxygen partial pressure in atmospheric air. For instance, large amounts of gaseous nitrogen and argon are used in pharmaceutical industries, gas filling/bottling plants, operating area of Fast Breeder reactors, etc. Fall of concentration of oxygen in air below 17% could lead to life risk (Asphyxiation) of the working personnel that has to be checked well in advance. Further, when the leaking gas is of explosive nature, its damage potential would be very high if its concentration level in air increases beyond its lower explosive limit. Surveillance of the ambient within these industries at the critical areas and also in the environment around them for oxygen therefore becomes highly essential. Sensitive and selective gas sensors made of advanced materials are required to meet this demand of monitoring environmental pollution. The perovskite class of oxides (ABO3) is chemically stable even at high temperatures and can tolerate large levels of dopants without phase transformations. The electronic properties of this parent functional material can be tailored by adding appropriate dopants that exhibit different valence states. Aliovalent transition metal substituted SrTiO3 perovskites are good mixed ionic and electronic conductors and potential candidates for sensing oxygen at percentage level exploiting their oxygen pressure dependent electrical conductivity. This paper presents the preparation, study of electrical conductivity and oxygen-sensing characteristics of iron and cobalt substituted SrTiO3.

  3. A nano-grid structure made of perovskite SrTiO3 nanowires for efficient electron transport layers in inverted polymer solar cells (United States)

    Kim, Jeong Won; Suh, Yo-Han; Lee, Chang-Lyoul; Kim, Yong Seok; Kim, Won Bae


    A nano-grid structure of perovskite SrTiO3 NWs is developed for a novel electron transport layer in inverted polymer solar cells. Due to the excellent charge transporting properties of the SrTiO3 nano-grid structure, the device employing this nanostructure showed ~32% enhanced photovoltaic performance, compared to the solar cell using a TiO2 thin film.A nano-grid structure of perovskite SrTiO3 NWs is developed for a novel electron transport layer in inverted polymer solar cells. Due to the excellent charge transporting properties of the SrTiO3 nano-grid structure, the device employing this nanostructure showed ~32% enhanced photovoltaic performance, compared to the solar cell using a TiO2 thin film. Electronic supplementary information (ESI) available: Experimental details, HR-TEM images with EDX atomic ratio analysis, FE-SEM images, transmittance spectra and light absorbance spectra. See DOI: 10.1039/c4nr06720g

  4. Non-conducting interfaces of LaAlO3/SrTiO3 produced in sputter deposition : The role of stoichiometry

    NARCIS (Netherlands)

    Dildar, I.M.; Boltje, D.B.; Hesselberth, M.H.S.; Aarts, J.; Xu, Q.; Zandbergen, H.W.; Harkema, S.


    We have investigated the properties of interfaces between LaAlO3 films grown on SrTiO3 substrates singly terminated by TiO2. We used RF sputtering in a high-pressure oxygen atmosphere. The films are smooth, with flat surfaces. Transmission electron microscopy shows sharp and continuous interfaces

  5. Optimization of Strontium Titanate (SrTiO3) Thin Films Fabricated by Metal Organic Chemical Vapor Deposition (MOCVD) for Microwave-Tunable Devices (United States)


    dielectric property of SrTiO3 lattice : first-principles study. Thin Solid Films. 2005;475:97–101. 16. Xi XX, Li HC, Si WD, Sirenko AA, Akimov IA...deposition. Japanese Journal of Applied Physics Part 1 – Regular Papers Short Notes & Review Papers. 1993;32:4069–4073. 85. Cho HJ, Lee JM, Shin JC

  6. CVD-grown graphene on LaAlO3/SrTiO3: transferring, patterning and c-AFM lithography (United States)

    Huang, Mengchen; Jnawali, Giriraj; Hsu, Jen-Feng; Lee, Hyungwoo; Ryu, Sangwoo; Bi, Feng; Chen, Lu; Ghahari, Fereshte; Ravichandran, Jayakanth; Kim, Philip; Eom, Chang-Beom; D'Urso, Brian; Irvin, Patrick; Levy, Jeremy


    Interesting properties are anticipated when graphene is integrated with complex-oxide heterostructures. To create these structures, single-layer graphene is grown by chemical vapor deposition and transferred onto LaAlO3/SrTiO3. following a deep UV exposure method, the size and position of the graphene can be patterned to be compatible with the c-AFM lithography technique applied on LaAlO3/SrTiO3. Local control of metal-insulator transition at LaAlO3/SrTiO3 interface is reversibly achieved using the c-AFM lithography technique without observable graphene degradation. The graphene layer can also serve as a top gate to modulate the LaAlO3/SrTiO3 interface conductance. We gratefully acknowledge support for this work from NSF (DMR-1124131 and DMR-1234096), ONR (N00014-13-1-0806) and AFOSR (FA9550-10-1-0524 and FA9550-12-1-0342)

  7. A hybrid DFT based investigation of the photocatalytic activity of cation-anion codoped SrTiO3 for water splitting under visible light. (United States)

    Modak, Brindaban; Srinivasu, K; Ghosh, Swapan K


    In this study, the effect of cation (Mo or W) and anion (N) codoping on the band structure of SrTiO3 is investigated to improve its photocatalytic activity for water splitting under sunlight. We consider both the non-compensated and compensated codoping strategies using different ratios of the cationic and anionic dopants. The present study employs hybrid density functional theory to describe the electronic structure of all the systems accurately. Although non-compensated (1 : 1) codoping reduces the band gap significantly, the presence of localized impurity states may hinder charge carrier mobility. This also changes the positions of the band edges to such an extent that the (Mo/W, N)-codoped SrTiO3 system becomes ineffective for overall water splitting. Besides, the formation of charge compensating defects may contribute to the carrier loss. On the other hand, compensated (1 : 2) codoping not only reduces the band gap to shift the absorption curve towards the visible region, but also passivates the impurity states completely, ensuring improved photoconversion efficiency. The reduction of the band gap is found to be more prominent in the case of (W, 2N)-codoped SrTiO3 than (Mo, 2N)-codoped SrTiO3. In both the cases, the band edge positions are found to satisfy the thermodynamic criteria for overall water splitting. Our calculation predicts that the codoping of (Mo/W) and N in the 1 : 2 ratio also enhances the reducing properties at the conduction band in comparison to that in the undoped SrTiO3, which is beneficial for hydrogen release in water splitting. The present study thus demonstrates the effect of the nature of the dopant elements as well as their proportion to achieve the best outcome of the designed material for practical applications.

  8. Effective improvement of interface modified strontium titanate based solid oxide fuel cell anodes by infiltration with nano-sized palladium and gadolinium-doped cerium oxide

    NARCIS (Netherlands)

    Hussain, A.M.; Hogh, J.V.T.; Zhang, W.; Blennow, P.; Bonanos, N.; Boukamp, Bernard A.


    The development of low temperature solid oxide fuel cell (SOFC) anodes by infiltration of Pd/Gd-doped cerium oxide (CGO) electrocatalysts in Nb-doped SrTiO3 (STN) backbones has been investigated. Modification of the electrode/electrolyte interface by thin layer of spin-coated CGO (400–500 nm)

  9. Independent Control of the Magnetization in Ferromagnetic La2/3Sr1/3MnO3/SrTiO3/LaCoO3 Heterostructures Achieved by Epitaxial Lattice Mismatch. (United States)

    Rivas-Murias, Beatriz; Lucas, Irene; Jiménez-Cavero, Pilar; Magén, César; Morellón, Luis; Rivadulla, Francisco


    We report the effect of interface symmetry-mismatch on the magnetic properties of LaCoO3 (LCO) thin films. Growing epitaxial LCO under tensile strain on top of cubic SrTiO3 (STO) produces a contraction along the c axis and a characteristic ferromagnetic response. However, we report here that ferromagnetism in LCO is completely suppressed when grown on top of a buffer layer of rhombohedral La2/3Sr1/3MnO3 (LSMO), in spite of identical in-plane and out-of-plane lattice deformation. This confirms that it is the lattice symmetry mismatch and not just the total strain, which determines the magnetism of LCO. On the basis of this control over the magnetic properties of LCO, we designed a multilayered structure to achieve independent rotation of the magnetization in ferromagnetic insulating LCO and half-metallic ferromagnet LSMO. This is an important step forward for the design of spin-filtering tunnel barriers based on LCO.

  10. Plasma plume effects on the conductivity of amorphous-LaAlO3/SrTiO3 interfaces grown by pulsed laser deposition in O2 and Ar

    DEFF Research Database (Denmark)

    Sambri, A.; Christensen, Dennis; Trier, Felix


    Amorphous-LaAlO3/SrTiO3 interfaces exhibit metallic conductivity similar to those found for the extensively studied crystalline-LaAlO3/SrTiO3 interfaces. Here, we investigate the conductivity of the amorphous-LaAlO3/SrTiO3 interfaces grown in different pressures of O2 and Ar background gases....... During the deposition, the LaAlO3 ablation plume is also studied, in situ, by fast photography and space-resolved optical emission spectroscopy. An interesting correlation between interfacial conductivity and kinetic energy of the Al atoms in the plume is observed: to assure conducting interfaces...

  11. Surface structure and electrochemical properties of platinum films grown on SrTiO3(100) substrates (United States)

    Kasai, Masahiro; Dohi, Hideyuki


    We fabricated Pt films on SrTiO3 (STO)(100) using a DC-magnetron sputtering method to investigate the preferred orientation, surface structure, and electrochemical property. A film grown at 400 °C showed the two-dimensional polycrystalline features of Pt(111). Reflection high-energy electron diffraction (RHEED) showed diffraction patterns independent of the in-plane incident angle of the film. Films grown at 600 and 700 °C exhibited a preferred orientation of Pt(100) and (110). The films exhibited the morphology of faceted islands with roughness of several tens of nm, which consisted of two kinds of domains, namely a domain with preferred orientation of (100) and one with (110). The (100) and (110) domains had 45-degree twin boundaries, which were observed as V-shaped streaks by RHEED. The (100) domain was aligned in orientation of [011]Pt//[010]STO, which suggests that the binding strength of the (110) plane at the interface was larger than that of the (100). With a further increase in the growth temperature up to 750 °C, the film primarily showed a preferred orientation of (100) with an in-plane orientation of [010]Pt//[010]STO. The film also showed an island structure; however, atomic force microscopy revealed that the top was atomically flat.

  12. Low-energy electron diffraction study of the surface of SrTiO3(001) (United States)

    Bell, Adam; Marino, Kristin; Diehl, Renee


    Oxide materials having the perovskite structure have many intriguing physical properties, such as high-temperature superconductivity, colossal magnetoresistance, and ferroelectricity. These properties make them good candidates for applications such as hard drive read heads or random access memory. Although fabrication of such devices involves growing thin films, the characterization of the surface structures of perovskite materials has been slow. This is partly because they often have complex or unstable structures that can be difficult to prepare and maintain and partly because the electron or ion beams common in surface techniques can charge the surface and perturb the incident and scattered beams This is particularly true of low-energy electron diffraction (LEED), the primary technique for determining the surface structures In this study, we have developed new methods to reduce the exposure of the insulating surface to electrons in a LEED experiment. These include using low incident beam currents, pulsing the electron beam and image enhancement techniques. We will carry out a LEED characterization of the SrTiO3(001) surface structure, which has been the subject of some controversy concerning the terminating structure.[1

  13. A unified mechanism for 2DEG at SrTiO3 /LaAlO3 interface (United States)

    Yu, Liping; Zunger, Alex


    The origin of 2DEG appearing at the TiO2-LaO (n-type) interface between two insulating oxides of polar LaAlO3 (LAO) and nonpolar SrTiO3 (STO) after some critical LAO thickness is still under hot debate. Here applying modern defect theory for bulk, interface and surface, based on DFT and HSE, we investigated the current mechanisms that focus on polar catastrophe scenario, interfacial and surface O vacancies (VO), or interfacial cation defects. We uncovered a unified mechanism that can explain not only the 2DEG at n-type interface, but also the insulating behaviour at SrO/AlO2 (p-type) interface. Specifically, for n-type interface, we found that (i) it is the VO at LAO surface coupled with built-in electric field in LAO film that causes 2DEG and determines the critical thickness. (ii) The interfacial La-on-Sr and Ti-on-Al antisite donor defects cause interfacial mixing, but do not contribute itinerant carriers. (iii) The cation vacancies and acceptor antisite defects can trap partially the 2DEG. For p-type interface, the insulating behaviour is resulted from the spontaneous formation of the defect pair of ``interfacial La-on-Sr defect and surface La vacancy defect'' after a critical thickness smaller than that expected from pure polar catastrophe scenario. Supported by DOE BES Energy Frontier Research Center for Inverse Design.

  14. Perovskite oxide SrTiO3 as an efficient electron transporter for hybrid perovskite solar cells

    KAUST Repository

    Bera, Ashok


    In this work, we explored perovskite oxide SrTiO3 (STO) for the first time as the electron-transporting layer in organolead trihalide perovskite solar cells. The steady-state photoluminescence (PL) quenching and transient absorption experiments revealed efficient photoelectron transfer from CH3NH3PbI3-xClx to STO. Perovskite solar cells with meso-STO exhibit an open circuit voltage of 1.01 V, which is 25% higher than the value of 0.81 V achieved in the control device with the conventional meso-TiO2. In addition, an increase of 17% in the fill factor was achieved by tailoring the thickness of the meso-STO layer. We found that the application of STO leads to uniform perovskite layers with large grains and complete surface coverage, leading to a high shunt resistance and improved performance. These findings suggest STO as a competitive candidate as electron transport material in organometal perovskite solar cells.

  15. Molecular Adsorption, Hindered Rotation, and Species Separation of H2/SrTiO3(001) (United States)

    Shimizu, Koji; Diño, Wilson Agerico; Nakanishi, Hiroshi; Kasai, Hideaki; Fukutani, Katsuyuki; Yajima, Ayako


    We investigated the interaction of H2 with SrTiO3(001) using density functional theory based total energy calculations. We found that the H2 adsorption strongly depends on the polar orientation of the H-H bond, and the preferred configuration determined by the ionic species of the atom at the adsorption site (i.e., cation or anion). From the calculated potential energy surfaces, we determined the corresponding hindered rotational states of the adsorbed H2. The calculated wave functions indicate preferential adsorption on top of the O site of an SrO-terminated surface, with the H-H bond oriented perpendicular to the surface. On a TiO2-terminated surface, the H2 adsorption occurs on top of the Ti site, with the H-H bond oriented parallel to the surface. The differences in the rotational state dependent desorption temperature suggest the possibility of species separation of H2, especially on the SrO-terminated surface.

  16. Electric field control of the LaAlO3/SrTiO3 interface ground state. (United States)

    Caviglia, A D; Gariglio, S; Reyren, N; Jaccard, D; Schneider, T; Gabay, M; Thiel, S; Hammerl, G; Mannhart, J; Triscone, J-M


    Interfaces between complex oxides are emerging as one of the most interesting systems in condensed matter physics. In this special setting, in which translational symmetry is artificially broken, a variety of new and unusual electronic phases can be promoted. Theoretical studies predict complex phase diagrams and suggest the key role of the charge carrier density in determining the systems' ground states. A particularly fascinating system is the conducting interface between the band insulators LaAlO(3) and SrTiO(3) (ref. 3). Recently two possible ground states have been experimentally identified: a magnetic state and a two-dimensional superconducting condensate. Here we use the electric field effect to explore the phase diagram of the system. The electrostatic tuning of the carrier density allows an on/off switching of superconductivity and drives a quantum phase transition between a two-dimensional superconducting state and an insulating state. Analyses of the magnetotransport properties in the insulating state are consistent with weak localization and do not provide evidence for magnetism. The electric field control of superconductivity demonstrated here opens the way to the development of new mesoscopic superconducting circuits.

  17. Two-Dimensional Electron Gas at SrTiO3-Based Oxide Heterostructures via Atomic Layer Deposition

    Directory of Open Access Journals (Sweden)

    Sang Woon Lee


    Full Text Available Two-dimensional electron gas (2DEG at an oxide interface has been attracting considerable attention for physics research and nanoelectronic applications. Early studies reported the formation of 2DEG at semiconductor interfaces (e.g., AlGaAs/GaAs heterostructures with interesting electrical properties such as high electron mobility. Besides 2DEG formation at semiconductor junctions, 2DEG was realized at the interface of an oxide heterostructure such as the LaAlO3/SrTiO3 (LAO/STO heterojunction. The origin of 2DEG was attributed to the well-known “polar catastrophe” mechanism in oxide heterostructures, which consist of an epitaxial LAO layer on a single crystalline STO substrate among proposed mechanisms. Recently, it was reported that the creation of 2DEG was achieved using the atomic layer deposition (ALD technique, which opens new functionality of ALD in emerging nanoelectronics. This review is focused on the origin of 2DEG at oxide heterostructures using the ALD process. In particular, it addresses the origin of 2DEG at oxide interfaces based on an alternative mechanism (i.e., oxygen vacancies.

  18. Temperature dependent giant resistance anomaly in LaAlO3/SrTiO3 nanostructures. (United States)

    Minhas, M Z; Müller, A; Heyroth, F; Blaschek, H H; Schmidt, G


    The resistance of the electron gas (2DEG) at the interface between the two band insulators LaAlO3 (LAO) and SrTiO3 (STO) typically drops monotonically with temperature and R/T curves during cooling and warm-up look identical for large area structures. Here we show that if the LAO/STO is laterally restricted by nanopatterning the resistance exhibits a temperature anomaly. Warming up nanostructures from low temperatures leads to one or two pronounced resistance peaks between 50 and 100 K not observed for larger dimensions. During cool-down current filaments emerge at the domain walls that form during a structural phase transition of the STO substrate. During warm-up the reverse phase transition can interrupt filaments before the sheet conductivity which dominates at higher temperature is reestablished. Due to the limited number of filaments in a nanostructure this process can result in a complete loss of conductance. As a consequence of these findings the transport physics extracted from experiments in small and large area LAO/STO structures may need to be reconsidered.

  19. High mobility half-metallicity in the (LaMnO3)2/(SrTiO3)8 superlattice (United States)

    Cossu, F.; Singh, N.; Schwingenschlögl, U.


    First principles calculations have been performed to investigate the LaMnO3/SrTiO3 superlattice. Structural relaxation within the generalized gradient approximation results in no significant tiltings or rotations of oxygen octahedra, but in distinct distortions in the SrTiO3 region. Taking into account the onsite Coulomb interaction, we find that the Mn spins order ferromagnetically, in contrast to the antiferromagnetic state of bulk LaMnO3. Most importantly, the interface strain combined with charge transfer across the interface induces half-metallicity within the MnO2 layers. The superlattice is particulary interesting for spintronics applications because the half-metallic states are characterized by an extraordinary high mobility.

  20. Tuning the local frictional and electrostatic responses of nanostructured SrTiO(3)-surfaces by self-assembled molecular monolayers. (United States)

    Paradinas, Markos; Garzón, Luis; Sánchez, Florencio; Bachelet, Romain; Amabilino, David B; Fontcuberta, Josep; Ocal, Carmen


    Exploiting the capability of preparing nanostructured bifunctional terminated SrTiO(3) substrates (SrO and TiO(2)), the surface properties have been locally tuned by employing a double bottom-up strategy which combines the use of chemically nanopatterned substrates with molecular self-assembly. The dynamics of surface diffusion that allows SrO and TiO(2) chemical-termination nano-patterning of the SrTiO(3) is first addressed. Second, termination-dependent heterogeneous nucleation is used to demonstrate that stearic acid selectively grows on the TiO(2) terminated terraces. This adsorption improves the frictional properties and modifies the surface contact potential. The possibility of simultaneously tailoring at the nanoscale different surface properties of widely employed oxide substrates is promising for building up new devices useful for emerging applications.

  1. Transport and excitations in a negative-U quantum dot at the LaAlO3/SrTiO3 interface

    DEFF Research Database (Denmark)

    Prawiroatmodjo, Guenevere E. D. K.; Leijnse, Martin Christian; Trier, Felix


    superconductivity was demonstrated at the level of single electrons in quantum dots at the interface of LaAlO3 and SrTiO3. Here, we present a detailed study of the excitation spectrum and transport processes of a gate-defined LaAlO3/SrTiO3 quantum dot exhibiting pairing at low temperatures. For weak tunneling......, the spectrum agrees with calculations based on the Anderson model with a negative effective charging energy U, and exhibits an energy gap corresponding to the Zeeman energy of the magnetic pair-breaking field. In contrast, for strong coupling, low-bias conductance is enhanced with a characteristic dependence...

  2. Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures

    KAUST Repository

    Nazir, Safdar


    The spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.

  3. Influence of oxygen pressure and aging on LaAlO3 films grown by pulsed laser deposition on SrTiO3 substrates

    KAUST Repository

    Park, Jihwey


    The crystal structures of LaAlO3 films grown by pulsed laser deposition on SrTiO3 substrates at oxygen pressure of 10−3 millibars or 10−5 millibars, where kinetics of ablated species hardly depend on oxygen background pressure, are compared. Our results show that the interface between LaAlO3 and SrTiO3 is sharper when the oxygen pressure is lower. Over time, the formation of various crystalline phases is observed while the crystalline thickness of the LaAlO3 layer remains unchanged. X-ray scattering as well as atomic force microscopy measurements indicate three-dimensional growth of such phases, which appear to be fed from an amorphous capping layer present in as-grown samples.

  4. Infrared ellipsometry study of the confined electrons in a high-mobility γ-Al2O3/SrTiO3 heterostructure

    DEFF Research Database (Denmark)

    Yazdi-Rizi, M.; Marsik, P.; Mallett, B. P. P.


    of SrTiO3, we derive the sheet carrier density, Ns, the mobility, μ, and the depth profile of the carrier concentration. Notably, we find that Ns and the shape of the depth profile are similar as in LaAlO3/SrTiO3 (LAO/STO) heterostructures for which the itinerant carriers are believed to arise from...... a polar discontinuity. Despite an order of magnitude higher mobility in GAO/STO, as obtained from transport measurements, the derived mobility in the infrared range exhibits only a twofold increase. We interpret this finding in terms of the polaronic nature of the confined charge carriers in GAO....../STO and LAO/STO which leads to a strong, frequency-dependent interaction with the STO phonons....

  5. Magnetic and electrical transport properties of LaBaCo2O(5.5+δ) thin films on vicinal (001) SrTiO3 surfaces. (United States)

    Ma, Chunrui; Liu, Ming; Collins, Gregory; Wang, Haibin; Bao, Shanyong; Xu, Xing; Enriquez, Erik; Chen, Chonglin; Lin, Yuan; Whangbo, Myung-Hwan


    Highly epitaxial LaBaCo(2)O(5.5+δ) thin films were grown on the vicinal (001) SrTiO(3) substrates with miscut angles of 0.5°, 3.0°, and 5.0° to systemically study strain effect on its physical properties. The electronic transport properties and magnetic behaviors of these films are strongly dependent on the miscut angles. With increasing the miscut angle, the transport property of the film changes from semiconducting to semimetallic, which results most probably from the locally strained domains induced by the surface step terraces. In addition, a very large magnetoresistance (34% at 60 K) was achieved for the 0.5°-miscut film, which is ~30% larger than that for the film grown on the regular (001) SrTiO(3) substrates.

  6. Proposal of a One-Dimensional Electron Gas in the Steps at the LaAlO3-SrTiO3 Interface (United States)

    Bristowe, N. C.; Fix, T.; Blamire, M. G.; Littlewood, P. B.; Artacho, Emilio


    The two-dimensional electron gas at the interface between LaAlO3 and SrTiO3 has become one of the most fascinating and highly debated oxide systems of recent times. Here we propose that a one-dimensional electron gas can be engineered at the step edges of the LaAlO3/SrTiO3 interface. These predictions are supported by first-principles calculations and electrostatic modeling which elucidate the origin of the one-dimensional electron gas as an electronic reconstruction to compensate a net surface charge in the step edge. The results suggest a novel route to increasing the functional density in these electronic interfaces.

  7. High mobility half-metallicity in the (LaMnO3)2/(SrTiO3)8 superlattice

    KAUST Repository

    Cossu, Fabrizio


    First principles calculations have been performed to investigate the LaMnO3/SrTiO3 superlattice. Structural relaxation within the generalized gradient approximation results in no significant tiltings or rotations of oxygen octahedra, but in distinct distortions in the SrTiO3 region. Taking into account the onsite Coulomb interaction, we find that the Mn spins order ferromagnetically, in contrast to the antiferromagnetic state of bulk LaMnO3. Most importantly, the interface strain combined with charge transfer across the interface induces half-metallicity within the MnO2 layers. The superlattice is particulary interesting for spintronics applications because the half-metallic states are characterized by an extraordinary high mobility.

  8. Strain-induced large spin splitting and persistent spin helix at LaAlO3/SrTiO3 interface (United States)

    Yamaguchi, Naoya; Ishii, Fumiyuki


    We investigate the effect of tensile strain on spin splitting at the n-type interface of LaAlO3/SrTiO3 in terms of spin–orbit coupling coefficient α and spin texture in the momentum space using first-principles density-functional calculations. Our results show that α could be controlled by the tensile strain, and can be enhanced by up to 5 times for a tensile strain of 7%, and the effect of the tensile strain leads to a persistent spin helix, which has a long spin lifetime. The strain effect on the LaAlO3/SrTiO3 interface is important for various applications such as spin field-effect transistors and spin-to-charge conversion.

  9. Magneto-transport properties of La 0.7 Ca 0.3 MnO 3/SrTiO 3/La 0.7 ...

    Indian Academy of Sciences (India)

    La0.7Ce0.3MnO3/SrTiO3/La0.7Ce0.3MnO3 tunnel junction; magneto-transport properties; magnetoresistance. ... University of Birmingham, B15 2TT, UK; Institut fur Festkorper und Wekstofforschung, Dresden, D-01069 Dresden, Germany; Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005, India ...

  10. Insight into synergistically enhanced adsorption and visible light photocatalytic performance of Z-scheme heterojunction of SrTiO3(La,Cr)-decorated WO3 nanosheets (United States)

    Liu, Xin; Jiang, Junzhe; Jia, Yushuai; Qiu, Jinmin; Xia, Tonglin; Zhang, Yuhong; Li, Yuqin; Chen, Xiangshu


    The efficient treatment of dye wastewater has been a hot topic of environment field. The integration of adsorption and photocatalytic degradation via fabrication of bi-component heterojunction photocatalyst is considered as a facile and effective strategy to enhance the dye elimination efficiency. In this report, a Z-scheme heterojunction material, SrTiO3(La,Cr)/WO3 with bifunction of adsorption and photocatalysis was successfully synthesized for efficient removal of methylene blue (MB) under visible light irradiation. The morphology and microstructure characterization demonstrates that the SrTiO3(La,Cr) nanoparticles are uniformly decorated on the WO3 nanosheets, forming an intimate heterojunction interface. MB degradation results indicate that the removal efficiency by the synergistic adsorption-photocatalysis process is greatly improved compared to pure WO3 and SrTiO3(La,Cr) with the adsorption and photocatalytic activity closely related to the composition of the material. The possible mechanism for the enhanced photocatalytic activity could be ascribed to the formation of a Z-scheme heterojunction system based on active species trapping experiments. Furthermore, the investigations of adsorption kinetics and isotherm show that the adsorption process follows pseudo-second-order kinetic model and Langmuir isotherm, respectively. Due to the synergistic advantages of negative zeta potential, large surface area and accelerated separation of photogenerated carriers driven by Z-scheme heterojunction, SrTiO3(La,Cr)/WO3 exhibits excellent adsorption-photocatalytic performance and stability on MB removal, which could be potentially used for practical wastewater treatment.

  11. Gate-tunable polarized phase of two-dimensional electrons at the LaAlO3/SrTiO3 interface. (United States)

    Joshua, Arjun; Ruhman, Jonathan; Pecker, Sharon; Altman, Ehud; Ilani, Shahal


    Controlling the coupling between localized spins and itinerant electrons can lead to exotic magnetic states. A novel system featuring local magnetic moments and extended 2D electrons is the interface between LaAlO3 and SrTiO3. The magnetism of the interface, however, was observed to be insensitive to the presence of these electrons and is believed to arise solely from extrinsic sources like oxygen vacancies and strain. Here we show the existence of unconventional electronic phases in the LaAlO3/SrTiO3 system pointing to an underlying tunable coupling between itinerant electrons and localized moments. Using anisotropic magnetoresistance and anomalous Hall effect measurements in a unique in-plane configuration, we identify two distinct phases in the space of carrier density and magnetic field. At high densities and fields, the electronic system is strongly polarized and shows a response, which is highly anisotropic along the crystalline directions. Surprisingly, below a density-dependent critical field, the polarization and anisotropy vanish whereas the resistivity sharply rises. The unprecedented vanishing of the easy axes below a critical field is in sharp contrast with other coupled magnetic systems and indicates strong coupling with the moments that depends on the symmetry of the itinerant electrons. The observed interplay between the two phases indicates the nature of magnetism at the LaAlO3/SrTiO3 interface as both having an intrinsic origin and being tunable.

  12. First-principle calculations of the thermal properties of SrTiO3 and SrO(SrTiO3)n (n=1,2) (United States)

    Lu, Yanli; Jia, Dewei; Gao, Feng; Hu, Tingting; Chen, Zheng


    The thermal properties of SrTiO3 and SrO(SrTiO3)n (n=1,2) with layered perovskite structure are analyzed using the Debye-Grüneisen model combined with ab initio calculations. The thermal expansion coefficient, specific heat at constant pressure CP and specific heat at constant volume CV, adiabatic bulk modulus BS and isothermal bulk modulus BT, entropy, and Debye temperature are investigated. At temperatures higher than 550 °C, the thermal expansion coefficient and the discrepancies between CP and CV, as well as that between BS and BT, of Sr3Ti2O7 increase the fastest as the temperature rises, followed by those of Sr2TiO4, and those of SrTiO3 increase the slowest. The bulk module and Debye temperature of Sr2TiO4, Sr3Ti2O7, and SrTiO3 increase with decreasing SrO/SrTiO3 ratio at 0 K. With increasing temperature, however, the bulk modulus and Debye temperature of Sr3Ti2O7 both rapidly decrease and even fall below those of Sr2TiO4 when the temperature is higher than specific values. We also analyzed the thermal properties of these three compounds in the pressure range from 0 GPa to 16 GPa at 300 K.

  13. Microstructure of a high Jc, laser-ablated YBa 2Cu 3O 7- δ/sol-gel deposited NdGaO 3 buffer layer/(001) SrTiO 3 multi-layer structure (United States)

    Yang, Chau-Yun; Ichinose, Ataru; Babcock, S. E.; Morrell, J. S.; Mathis, J. E.; Verebelyi, D. T.; Paranthaman, M.; Beach, D. B.; Christen, D. K.

    A YBa 2Cu 3O 7- δ (YBCO) film with a transport critical current density ( Jc) value of 1 mA/cm 2 (77 K, 0 T) was grown on a solution deposited NdGaO 3 (NGO) buffer layer on (100) SrTiO 3 (STO). The 25-nm thick NGO buffer layer was dip-coated onto the STO single crystal from a solution of metal methoxyethoxides in 2-methoxyethanol. Pulsed laser deposition (PLD) was used to grow a 250-nm-thick YBCO film on the NGO. The epitaxial relationships are cube-on-cube throughout the structure when the pseudo cubic and pseudo tetragonal unit cells are used to describe the NGO and YBCO crystal structures, respectively: (001) YBCO∥(001) NGO∥(001) STO and [100] YBCO∥[100] NGO∥[100] STO. High resolution scanning electron microscopy (SEM) of the bare NGO surface revealed ∼40 nm diameter pinholes with number density of ∼2×10 13 m -2, corresponding to an area fraction coverage of 2.5%, in an otherwise featureless surface. Cross-sectional transmission electron microscopy (TEM) showed that these pinholes penetrate to the STO; otherwise the NGO layer was uniformly thick to within approximately ±5 nm and defect free. The X-ray diffraction φ- and ω-scans indicated that the YBCO film was highly oriented with a full-width-half maximum peak breadth of 1.14° for in-plane and 0.46° for out-of-plane alignment, respectively. The film contained sparse a-axis oriented grains, an appreciable density of (001) stacking faults and apparently insulating second phase precipitates of the type that typically litter the surface of PLD films. All of these defects are typical of YBCO thin films. High-resolution cross-sectional TEM images indicate that no chemical reaction occurs at the YBCO/NGO interface.

  14. Low-temperature abnormal thermal expansion property of Mn doped cubic NaZn13-type La(Fe, Al)13 compounds (United States)

    Zhao, Yuqiang; Huang, Rongjin; Shan, Yi; Wang, Wei; Li, Jiangtao; Li, Laifeng


    Low-temperature abnormal thermal expansion (ATE) materials have been recently developed because of their significant applications for cryogenic engineering. However, the challenge still remains for the control of ATE effect at cryogenic temperature and adjustable ATE is of fundamental interest. In this paper, we report the isotropic ATE in La(Fe, Al)13 compounds over a wide adjusting temperature range by partially substituting Fe by Mn. It is found that all samples crystallize in the cubic NaZn13-type structure with the Fm\\bar{3}c space group. The introduction of nonmagnetic Mn atoms reduces the Fe-Fe exchange interaction, therefore, the itinerant electron system needs less energy to break the magnetic order in ferromagnetic (FM) state at low temperature. The negative thermal expansion (NTE) operation-temperature window moves towards lower temperatures accompanied with the decrease of Curie temperature (T C) by increasing Mn elements. Moreover, the composite combining Mn 0 and Mn 57 broadens the zero thermal expansion (ZTE) behavior occurring in the whole tested temperature range. The present studies could be useful to control the thermal expansion, and indicate the potential applications of ATE materials in cryogenic engineering.

  15. Performance of cubic ZrO{sub 2} doped CeO{sub 2}: First-principles investigation on elastic, electronic and optical properties of Ce{sub 1−x} Zr{sub x}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Dong [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Zeng, Chunhua, E-mail: [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Faculty of Science, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Wang, Hua, E-mail: [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Luo, Hongchun [Faculty of Science, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Cheng, Xianming [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Xiang, Chao [College of Mechanical and Electrical Engineering, Yangtze Normal University, Fuling 408100, Chongqing (China); Wei, Yonggang; Li, Kongzhai; Zhu, Xing [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming 650093, Yunnan (China); Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, Yunnan (China)


    The structural, elastic, electronic and optical properties of Ce{sub 1−x} Zr{sub x}O{sub 2} (x = 0, 0.25, 0.5, 0.75, 1) fluorite type oxides are studied by researchers using the method of density functional theory (DFT) + U method. The calculated equilibrium lattice parameter, cell volume, elastic and optical properties for CeO{sub 2} and ZrO{sub 2} are all in good agreement with the available experimental data and other theoretical results. It is found that Ce substituted by Zr leads to the formation of the pseudo-cubic fluorite-type structure. With doping concentration × increasing, the lattice parameter, cell volume and the bond length of d{sub Ce−O} and d{sub Zr−O} decrease linearly. It is interesting to find that the hardness of materials increase with Zr concentration increasing. For Ce{sub 0.75} Zr{sub 0.25} O{sub 2}, we also find that its ductility is good. Meanwhile, the range of the conduction band energy in the doped system becomes wider than that in the undoped system. The overlapping band phenomenon occur for all substitutions in Ce{sub 1−x} Zr{sub x}O{sub 2} (from x = 0.25 to x = 0.75), especially for the structure of Ce{sub 0.5} Zr{sub 0.5} O{sub 2} and Ce{sub 0.25} Zr{sub 0.75} O{sub 2}, its second band gaps almost disappear. Based on the dielectric functions obtained, it is shown that the static dielectric constant ε{sub 0} and refractive index n{sub 0} obviously decrease with Zr concentration increasing. After discussing, we know that CeO{sub 2} is suitable as a useful high-refractive index film material in single and multilayered optical coatings, whereas ZrO{sub 2} can be used as gate-dielectric materials in metal-oxide semiconductor (MOS) devices, in metallurgy and as a thermal barrier coating in engines. - Highlights: • Structural, and optical properties of fluorite type oxides are studied; • Ce substituted by Zr leads to formation of pseudo-cubic fluorite-type structure; • Hardness of materials are increased with Zr

  16. Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

    KAUST Repository

    Nazir, S.


    Cation intermixing at the n-type polar LaGaO 3 /SrTiO 3 (001) interface is investigated by first principles calculations. Ti"Ga, Sr"La, and SrTi"LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d xy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.

  17. Magneto-transport study of top- and back-gated LaAlO3/SrTiO3 heterostructures

    Directory of Open Access Journals (Sweden)

    W. Liu


    Full Text Available We report a detailed analysis of magneto-transport properties of top- and back-gated LaAlO3/SrTiO3 heterostructures. Efficient modulation in magneto-resistance, carrier density, and mobility of the two-dimensional electron liquid present at the interface is achieved by sweeping top and back gate voltages. Analyzing those changes with respect to the carrier density tuning, we observe that the back gate strongly modifies the electron mobility while the top gate mainly varies the carrier density. The evolution of the spin-orbit interaction is also followed as a function of top and back gating.

  18. Influence of the oxidation state of SrTiO3 plasmas for stoichiometric growth of pulsed laser deposition films identified by laser induced fluorescence

    Directory of Open Access Journals (Sweden)

    Kasper Orsel


    Full Text Available By applying two-dimensional laser induced fluorescence (LIF on multiple plasma constituents, we are able to directly link the oxidation of plasma species in a SrTiO3 plasma for pulsed laser deposition to the stoichiometry and quality of the thin films grown. With spatiotemporal LIF mapping of the plasma species in different background gas compositions, we find that Ti and Sr have to be fully oxidized for a stoichiometric growth of crystalline thin films, which gives new input for modeling surface growth, as well as provides additional control over the exact degree of stoichiometry of thin films.

  19. Magnetic field-induced bipolar resistive switching and negative differential resistance in (110)SrTiO3:Nb/ZnO heterojunctions (United States)

    Fang, Yinglong; Li, Jiachen; Chen, Yonghai; Zhang, Weifeng; Jia, Caihong


    (110)SrTiO3:Nb (NSTO)/ZnO heterojunctions were fabricated by magnetron sputtering. The NSTO/ZnO heterojunctions exhibit a typical rectification characteristic, and two attendant behaviors of bipolar resistive switching and negative differential resistance appear after applying a magnetic field. The ideality factor (n) increases from 3.0 to 8.8 and the density of interface state Nss increases from 8.4×1013 to 1.8×1014 eV-1·cm-2 after applying a magnetic field. The variance of interface state density can be used to qualitatively understand the above results.

  20. Imposed quasi-layer-by-layer homoepitaxial growth of SrTiO3 films by large area pulsed laser deposition

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Pryds, Nini


    The homoepitaxial growth of SrTiO3 (STO) films was investigated by a large-area pulsed laser deposition (PLD), which was in-situ monitored by a high pressure reflective high energy electron diffraction. By combining a conventionally continuous film deposition with a followed interval relaxation......, a persistent layer-by-layer (LBL) film growth of more than 100 unit cells STO films was achieved. This interrupted PLD technique could realize persistent LBL film growth at any laser frequency between 1 and 10 Hz and provides an effective way to fabricate high quality complex oxide films on unit cell scale....

  1. Electric field control of the γ-Al2O3/SrTiO3 interface conductivity at room temperature

    DEFF Research Database (Denmark)

    Christensen, Dennis Valbjørn; Trier, Felix; von Soosten, Merlin


    Controlling interfaces using electric fields is at the heart of modern electronics. The discovery of the conducting interface between the two insulating oxides LaAlO3 (LAO) and SrTiO3 (STO) has led to a number of interesting electric field-dependent phenomena. Recently, it was shown that replacing...... LAO with a spinel γ-Al2O3 (GAO) allows a good pseudo-epitaxial film growth and high electron mobility at low temperatures. Here, we show that the GAO/STO interface resistance, similar to LAO/STO, can be tuned by orders of magnitude at room temperature using the electric field of a backgate...

  2. Electrical resistivity and band-gap shift of Si-doped GaN and metal-nonmetal transition in cubic GaN, InN and AlN systems (United States)

    Fernandez, J. R. L.; Moysés Araújo, C.; Ferreira da Silva, A.; Leite, J. R.; Sernelius, Bo E.; Tabata, A.; Abramof, E.; Chitta, V. A.; Persson, C.; Ahuja, R.; Pepe, I.; As, D. J.; Frey, T.; Schikora, D.; Lischka, K.


    The critical impurity concentration Nc of the metal-nonmetal (MNM) transition for the cubic GaN, InN and AlN systems, is calculated using the following two different criteria: vanishing of the donor binding energy and the crossing point between the energies in the metallic and insulating phases. A dielectric function model with a Lorentz-Lorenz correction is used for the insulating phase. The InN presents an order of magnitude increase in Nc as compared to the other two systems. The electrical resistivity of the Si-donor system GaN is investigated theoretically and experimentally from room temperature down to 10 K. It presents a metallic character above a certain high impurity concentration identified as Nc. The samples were grown by plasma assisted molecular beam epitaxy (MBE) on GaAs (0 0 1) substrate. The model calculation is carried out from a recently proposed generalized Drude approach (GDA) presenting a very good estimation for the metallic region. The band-gap shift (BGS) of Si-doped GaN has also been investigated above the MNM transition where this shift is observed. Theoretical and experimental results have a rough agreement in a range of impurity concentration of interest.

  3. Engineering two-dimensional superconductivity and Rashba spin–orbit coupling in LaAlO3/SrTiO3 quantum wells by selective orbital occupancy (United States)

    Herranz, Gervasi; Singh, Gyanendra; Bergeal, Nicolas; Jouan, Alexis; Lesueur, Jérôme; Gázquez, Jaume; Varela, María; Scigaj, Mateusz; Dix, Nico; Sánchez, Florencio; Fontcuberta, Josep


    The discovery of two-dimensional electron gases (2DEGs) at oxide interfaces—involving electrons in narrow d-bands—has broken new ground, enabling the access to correlated states that are unreachable in conventional semiconductors based on s- and p- electrons. There is a growing consensus that emerging properties at these novel quantum wells—such as 2D superconductivity and magnetism—are intimately connected to specific orbital symmetries in the 2DEG sub-band structure. Here we show that crystal orientation allows selective orbital occupancy, disclosing unprecedented ways to tailor the 2DEG properties. By carrying out electrostatic gating experiments in LaAlO3/SrTiO3 wells of different crystal orientations, we show that the spatial extension and anisotropy of the 2D superconductivity and the Rashba spin–orbit field can be largely modulated by controlling the 2DEG sub-band filling. Such an orientational tuning expands the possibilities for electronic engineering of 2DEGs at LaAlO3/SrTiO3 interfaces. PMID:25583368

  4. Hybrid HF-DFT comparative study of SrZrO3 and SrTiO3(001) surface properties (United States)

    Evarestov, R. A.; Bandura, A. V.; Alexandrov, V. E.


    Hybrid HF-DFT LCAO simulations of SrZrO3 and SrTiO3(001) surface properties are performed in a single-slab model framework. The SrZrO3(001) surface was studied by an ab initio method for the first time. Three slab models with different surface terminations including up to 8 atomic planes were used for calculation of the various surface characteristics (surface energies, atomic charges, density of electronic states). The dependence of the results on the chosen model and on the kind of d -element is analyzed. The dissimilarity in the surface oxygen atom contributions to the total density of states of two crystals is attributed to the more ionic nature of Zr-O bonds compared to Ti-O bonds. It is found that in the case of SrZrO3 the electronic density is biased towards the SrO-terminated surface and this surface should be more basic in nature than the SrO surface of SrTiO3 crystal.

  5. Strong evidence for d-electron spin transport at room temperature at a LaAlO3/SrTiO3 interface (United States)

    Ohshima, Ryo; Ando, Yuichiro; Matsuzaki, Kosuke; Susaki, Tomofumi; Weiler, Mathias; Klingler, Stefan; Huebl, Hans; Shikoh, Eiji; Shinjo, Teruya; Goennenwein, Sebastian T. B.; Shiraishi, Masashi


    A d-orbital electron has an anisotropic electron orbital and is a source of magnetism. The realization of a two-dimensional electron gas (2DEG) embedded at a LaAlO3/SrTiO3 interface surprised researchers in materials and physical sciences because the 2DEG consists of 3d-electrons of Ti with extraordinarily large carrier mobility, even in the insulating oxide heterostructure. To date, a wide variety of physical phenomena, such as ferromagnetism and the quantum Hall effect, have been discovered in this 2DEG system, demonstrating the ability of d-electron 2DEG systems to provide a material platform for the study of interesting physics. However, because of both ferromagnetism and the Rashba field, long-range spin transport and the exploitation of spintronics functions have been believed difficult to implement in d-electron 2DEG systems. Here, we report the experimental demonstration of room-temperature spin transport in a d-electron-based 2DEG at a LaAlO3/SrTiO3 interface, where the spin relaxation length is about 300 nm. Our finding, which counters the conventional understandings of d-electron 2DEGs, highlights the spin-functionality of conductive oxide systems and opens the field of d-electron spintronics.

  6. Interfacial B-site atomic configuration in polar (111 and non-polar (001 SrIrO3/SrTiO3 heterostructures

    Directory of Open Access Journals (Sweden)

    T. J. Anderson


    Full Text Available The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111 and non-polar (001 SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111 interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001 interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111 perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

  7. Origin of the stabilization of the metastable tetragonal high-pressure phase in SrCuO2 thin films grown on SrTiO3 substrates by pulsed laser deposition (United States)

    Mihailescu, C. N.; Pasuk, I.; Straticiuc, M.; Nita, C. R.; Pantelica, D.; Giapintzakis, J.


    In this work we have systematically investigated the evolution of structure and stoichiometry in SrCuO2 films grown on TiO2-terminated SrTiO3 substrates as a function of the substrate temperature. Depending on the growth temperature SrCuO2/SrTiO3 films can exhibit either a pure tetragonal high-pressure phase, or a pure orthorhombic low-pressure phase, or a mixed phase. Our results indicate that at low substrate temperatures the non-equilibrium state of the growth process is responsible for the stabilization of the metastable tetragonal high-pressure structure in SrCuO2 thin films grown on (0 0 1) SrTiO3 substrates, whose lattice matches the metastable structure. In addition, at higher substrate temperatures thermodynamics become dominant over other factors and the SrCuO2 thin films are stabilized in the thermodynamically stable orthorhombic phase.

  8. Surface morphology and in-plane-epitaxy of SmBa2Cu3O7-δ films on SrTiO3 (001) substrates studied by STM and grazing incidence x-ray diffraction

    DEFF Research Database (Denmark)

    Jiang, Q.D.; Smilgies, D.M.; Feidenhans'l, R.


    The surface morphology and in-plane epitaxy of thin films of SmBa(2)Cu3O(7-delta) (Sm-BCO) grown on SrTiO3 (001) substrates with various thicknesses have been investigated by scanning tunneling microscopy (STM) and grazing incidence x-ray diffraction (GIXRD). As revealed by GIXRD, SmBCO films...... as thick as 500 Angstrom grow pseudomorphically on SrTiO3 (001) surfaces, in comparison with a maximum of 130 Angstrom for YBCO. This is probably due to a better lattice match of SmBCO (epsilon(alpha) = 1.2%, epsilon(b)=-0.5%) compared to YBCO (epsilon(alpha)=2.0%, epsilon(b)=0.5%) with the SrTiO3...

  9. Nickel sulfide/graphitic carbon nitride/strontium titanate (NiS/g-C3N4/SrTiO3) composites with significantly enhanced photocatalytic hydrogen production activity. (United States)

    Luo, Xiu-Li; He, Gang-Ling; Fang, Yue-Ping; Xu, Yue-Hua


    NiS/g-C 3 N 4 /SrTiO 3 (NS/CN/STO) composites were prepared using a facile hydrothermal method. The synergistic effect of g-C 3 N 4 /SrTiO 3 (CN/STO) heterojunction and NiS cocatalyst enhanced the photocatalytic hydrogen evolution activity of NS/CN/STO. A hydrogen production rate of 1722.7 μmol h -1  g -1 was obtained when the 2%NiS/20%g-C 3 N 4 /SrTiO 3 (2NS/20CN/STO) was used for the photocatalytic hydrogen evolution in the presence of methanol used as a sacrificial agent under UV-vis light irradiation; the photocatalytic hydrogen production rate of 2NS/20CN/STO is 32.8, 8.9 and 4.2 times the value of that obtained with pure g-C 3 N 4 , SrTiO 3 and 20%g-C 3 N 4 /SrTiO 3 (20CN/STO), respectively. Moreover, in photoelectrochemical investigations when compared with 20CN/STO, SrTiO 3 and g-C 3 N 4 , 2NS/20CN/STO exhibited significant photocurrent enhancement. The heterojunction and cocatalyst in NS/CN/STO improved the charge separation efficiency and the lifetime of the charge carriers, leading to the enhanced generation of electrons for photocatalytic hydrogen production. Copyright © 2018 Elsevier Inc. All rights reserved.

  10. Untilting BiFeO3: The influence of substrate boundary conditions in ultra-thin BiFeO3 on SrTiO3

    Directory of Open Access Journals (Sweden)

    Yongsoo Yang


    Full Text Available We report on the role of oxygen octahedral tilting in the monoclinic-to-tetragonal phase transition in ultra-thin BiFeO3 films grown on (001 SrTiO3 substrates. Reciprocal space maps clearly show the disappearance of the integer-order Bragg peak splitting associated with the monoclinic phase when the film thickness decreases below 20 unit cells. This monoclinic-to-tetragonal transition is accompanied by the evolution of the half-order diffraction peaks, which reflects untilting of the oxygen octahedra around the [110] axis, proving that the octahedral tilting is closely correlated with the transition. This structural change is thickness-dependent, and different from a strain-induced transition in the conventional sense.

  11. Metal-insulator transition at the LaAlO3/SrTiO3 interface revisited: A hybrid functional study (United States)

    Cossu, F.; Schwingenschlögl, U.; Eyert, V.


    We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid functional to determine the electronic structure. This approach offers the distinct advantage of accessing both the metallic and insulating multilayers on a parameter-free equal footing. As compared to calculations based on semilocal GGA functionals, our hybrid functional calculations lead to a considerably increased band gap for the insulating systems. The details of the electronic structure show substantial deviations from those obtained by GGA calculations. This casts severe doubts on all previous results based on semilocal functionals. In particular, corrections using rigid band shifts (“scissors operator”) cannot lead to valid results.

  12. Strain Accommodation By Facile WO6 Octahedral Distortion and Tilting During WO3 Heteroepitaxy on SrTiO3(001)

    Energy Technology Data Exchange (ETDEWEB)

    Du, Yingge; Gu, Meng; Varga, Tamas; Wang, Chong M.; Bowden, Mark E.; Chambers, Scott A.


    In this paper, we show that compared to other BO6 octahedra in ABO3 structured perovskite oxides, the WO6 octahedra in tungsten trioxide (WO3) can withstand a much larger degree of distortion and tilting to accommodate interfacial strain, which in turn strongly impact the nucleation, structure, and defect formation during the epitaxial growth of WO3 on SrTiO3(001). A meta-stable tetragonal phase can be stabilized by epitaxy and a thickness dependent phase transition (tetragonal to monoclinic) is observed. In contrast to misfit dislocations to accommodate the interfacial stain, the facial WO6 octahedral distortion and tilting give rise to three types of planar defects that affect more than 15 monolayers from the interface. These atomically resolved, unusual interfacial defects may significantly alter the electronic, electrochromic, and mechanical properties of the epitaxial films.

  13. Ti diffusion in (001) SrTiO3-CoFe2O4 epitaxial heterostructures: blocking role of a MgAl2O4 buffer. (United States)

    Rebled, J M; Foerster, M; Estradé, S; Rigato, F; Kanamadi, C; Sánchez, F; Peiró, F; Fontcuberta, J


    Titanium diffusion from (001) SrTiO3 (STO) substrates into CoFe2O4 (CFO) films grown using pulsed laser deposition is reported. To elucidate the reasons for Ti interdiffusion, a comparative study of CFO films grown on MgAl2O4 (MAO) and STO substrates, buffered by thin STO and MAO layers, has been made. It is shown that whereas bottom STO layers always result in Ti migration, a thin MAO layer, only 8 nm thick, is effective in blocking it. We argue that this success relies on the lower mobility of Ti ions in the MAO lattice compared to that of CFO. This result should contribute to the development of high quality epitaxial heterostructures of dissimilar complex oxides.

  14. ZnO Nanorods on a LaAlO 3 -SrTiO 3 Interface: Hybrid 1D-2D Diodes with Engineered Electronic Properties

    KAUST Repository

    Bera, Ashok


    Integrating nanomaterials with different dimensionalities and properties is a versatile approach toward realizing new functionalities in advanced devices. Here, a novel diode-type heterostructure is reported consisting of 1D semiconducting ZnO nanorods and 2D metallic LaAlO3-SrTiO3 interface. Tunable insulator-to-metal transitions, absent in the individual components, are observed as a result of the competing temperature-dependent conduction mechanisms. Detailed transport analysis reveals direct tunneling at low bias, Fowler-Nordheim tunneling at high forward bias, and Zener breakdown at high reverse bias. Our results highlight the rich electronic properties of such artificial diodes with hybrid dimensionalities, and the design principle may be generalized to other nanomaterials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. O deficient LaAlO3/SrTiO3(110) and (001) superlattices under hydrostatic pressure: a comparative first principles study

    KAUST Repository

    Albar, Arwa


    We compare the electronic properties of O deficient LaAlO3/SrTiO3 superlattices oriented along the (001) and (110) directions, taking into account the effect of hydrostatic compression and tension. Interfacial O vacancies turn out to be less likely in the case of the (110) orientation, with compression (tension) reducing (enhancing) the energy cost for both orientations. The presence of O vacancies results in the formation of a two-dimensional electron gas, for which we observe a distinct spatial pattern of carrier density that depends strongly on the amount of applied pressure. We clarify the interrelation between structural features and the properties of this electron gas (confinement, carrier density, and mobility).

  16. Competition between InP and In2O3 islands during the growth of InP on SrTiO3 (United States)

    Saint-Girons, G.; Regreny, P.; Cheng, J.; Patriarche, G.; Largeau, L.; Gendry, M.; Xu, G.; Robach, Y.; Botella, C.; Grenet, G.; Hollinger, G.


    A study of the growth of InP islands on SrTiO3 (STO) substrates is presented. The nature and crystal orientation of the islands strongly depend on the growth temperature: below 410 °C, both InP and In2O3 islands coexist, while InP islands alone are formed above this temperature. InP islands are randomly oriented in the low growth temperature range and adopt an equilibrium orientation defined by [111]InP∥[001]STO in the growth direction and [110]InP∥[100]STO in the growth plane between 410 and 475 °C. This study highlights the complexity of the growth of InP on STO, which results from a combined influence of interface chemistry and crystallographic properties as well as of the nucleation kinetics.

  17. Metal-insulator transition at the LaAlO3/SrTiO3 interface revisited: A hybrid functional study

    KAUST Repository

    Cossu, Fabrizio


    We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid functional to determine the electronic structure. This approach offers the distinct advantage of accessing both the metallic and insulating multilayers on a parameter-free equal footing. As compared to calculations based on semilocal GGA functionals, our hybrid functional calculations lead to a considerably increased band gap for the insulating systems. The details of the electronic structure show substantial deviations from those obtained by GGA calculations. This casts severe doubts on all previous results based on semilocal functionals. In particular, corrections using rigid band shifts (“scissors operator”) cannot lead to valid results.

  18. Magnetic anisotropy and magnetization reversal of La0.67Sr0.33MnO3 thin films on SrTiO3(110) (United States)

    Boschker, Hans; Kautz, Jaap; Houwman, Evert P.; Koster, Gertjan; Blank, Dave H. A.; Rijnders, Guus


    The magnetic behavior of La0.67Sr0.33MnO3 (LSMO) films grown on SrTiO3 (110) substrates was studied. In-plane uniaxial magnetic anisotropy with the easy axis aligned with the [001] lattice direction was observed, together with an out-of-plane component. This is explained by the crystal structure of the films, which shows a tilt of the (001) planes. This tilt creates a long body diagonal which forces the easy axis out-of-plane and results in magnetic domain formation. The domain size is estimated at 500 nm. The switching behavior of the magnetization is well described by a two-phase model which takes both coherent rotation and domain wall motion into account. These results are of importance for the application of LSMO in tunnel magnetoresistance devices, where the (110) orientation is preferred because of the reduction in the dead layer in this direction.

  19. Competing strain relaxation mechanisms in epitaxially grown Pr0.48Ca0.52MnO3 on SrTiO3

    Directory of Open Access Journals (Sweden)

    Anja Herpers


    Full Text Available We investigated the impact of strain relaxation on the current transport of Pr0.48Ca0.52MnO3 (PCMO thin films grown epitaxially on SrTiO3 single crystals by pulsed laser deposition. The incorporation of misfit dislocations and the formation of cracks are identified as competing mechanisms for the relaxation of the biaxial tensile strain. Crack formation leads to a higher crystal quality within the domains but the cracks disable the macroscopic charge transport through the PCMO layer. Progressive strain relaxation by the incorporation of misfit dislocations, on the other hand, results in a significant decrease of the activation energy for polaron hopping with increasing film thickness.

  20. Structure and cation distribution of (Mn0.5Zn0.5)Fe2O4 thin films on SrTiO3(001) (United States)

    Welke, M.; Brachwitz, K.; Lorenz, M.; Grundmann, M.; Schindler, K.-M.; Chassé, A.; Denecke, R.


    A comprehensive study on growth of ferrimagnetic manganese zinc ferrite (Mn0.5Zn0.5Fe2O4) films on single crystalline strontium titanate(001) (SrTiO3) substrates was carried out. Under the optimized conditions, a thin film with a layer thickness of 200 nm was deposited, and the structural properties were investigated. Contrary to data published in literature, no buffer layer was necessary to achieve epitaxial growth of a poorly lattice-matched layer. This was confirmed for Mn0.5Zn0.5Fe2O4(001) on SrTiO3(001) by x-ray diffraction and the adjoined phi scans, which also revealed a lattice compression of 1.2% of the manganese zinc ferrite film in the out-of-plane direction. Using x-ray photoelectron spectroscopy, the near surface stoichiometry of the film could be shown to agree with the intended one within the uncertainty of the method. X-ray absorption spectroscopy showed an electronic structure close to that published for bulk samples. Additional x-ray magnetic circular dichroism investigations were performed to answer detailed structural questions by a comparison of experimental data with the calculated ones. The calculations took into account ion sites (tetrahedral vs. octahedral coordination) as well as the charge of Fe ions (Fe2+ vs. Fe3+). Contrary to the expectation for a perfect normal spinel that only Fe3+ ions are present in octahedral sites, hints regarding the presence of additional Fe2+ in octahedral sites as well as Fe3+ ions in tetrahedral sites have been obtained. Altogether, the layer could be shown to be mostly in a normal spinel configuration.

  1. Retention of Electronic Conductivity in LaAlO3/SrTiO3 Nanostructures Using a SrCuO2 Capping Layer (United States)

    Aurino, P. P.; Kalabukhov, A.; Borgani, R.; Haviland, D. B.; Bauch, T.; Lombardi, F.; Claeson, T.; Winkler, D.


    The interface between two wide band-gap insulators, LaAlO3 and SrTiO3 (LAO/STO) offers a unique playground to study the interplay and competitions between different ordering phenomena in a strongly correlated two-dimensional electron gas. Recent studies of the LAO/STO interface reveal the inhomogeneous nature of the 2DEG that strongly influences electrical-transport properties. Nanowires needed in future applications may be adversely affected, and our aim is, thus, to produce a more homogeneous electron gas. In this work, we demonstrate that nanostructures fabricated in the quasi-2DEG at the LaAlO3/SrTiO3 interface, capped with a SrCuO2 layer, retain their electrical resistivity and mobility independent of the structure size, ranging from 100 nm to 30 μ m . This is in contrast to noncapped LAO/STO structures, where the room-temperature electrical resistivity significantly increases when the structure size becomes smaller than 1 μ m . High-resolution intermodulation electrostatic force microscopy reveals an inhomogeneous surface potential with "puddles" of a characteristic size of 130 nm in the noncapped samples and a more uniform surface potential with a larger characteristic size of the puddles in the capped samples. In addition, capped structures show superconductivity below 200 mK and nonlinear current-voltage characteristics with a clear critical current observed up to 700 mK. Our findings shed light on the complicated nature of the 2DEG at the LAO/STO interface and may also be used for the design of electronic devices.

  2. Magnetoelastic response of La0.7Sr0.3MnO3/SrTiO3 superlattices to reversible strain (United States)

    Dekker, M. C.; Herklotz, A.; Schultz, L.; Reibold, M.; Vogel, K.; Biegalski, M. D.; Christen, H. M.; Dörr, K.


    The influence of an electrically controlled biaxial in-plane strain on the magnetization of superlattices of ferromagnetic La0.7Sr0.3MnO3 and SrTiO3 was studied for single-layer thicknesses of d = 1.5-13 nm. Superlattices were grown by pulsed laser deposition on both SrTiO3(001) and piezoelectric 0.72Pb(Mg1/3Nb2/3)O3-0.28PbTiO3(001), or PMN-PT(001), substrates and have been structurally characterized by x-ray diffraction (XRD) and transmission electron microscopy. Grazing-incidence XRD reveals the vertical homogeneity of the piezoelectrically controlled reversible in-plane strain, even in a 600-nm-thick superlattice containing 100 oxide interfaces. The as-grown strain is almost identical in all superlattices that are coherently grown, with small variations resulting from the partially relaxed growth of the first La0.7Sr0.3MnO3 layer on PMN-PT(001). The magnetic transition temperature decreases with the layer thickness d as a consequence of the finite layer thickness, and the strain-induced response of the magnetization changes its character from that of a long-range-ordered ferromagnet to that of a magnetically disordered (possibly electronically phase-separated) manganite. The strain response of a modified interface layer (“dead layer”) of the thickness dI is distinguished from that of the layer's interior by its different temperature dependence, allowing an estimation of 10 Å < dI < 16 Å for the superlattices on PMN-PT.

  3. Configuration and local elastic interaction of ferroelectric domains and misfit dislocation in PbTiO3/SrTiO3 epitaxial thin films

    Directory of Open Access Journals (Sweden)

    Takanori Kiguchi, Kenta Aoyagi, Yoshitaka Ehara, Hiroshi Funakubo, Tomoaki Yamada, Noritaka Usami and Toyohiko J Konno


    Full Text Available We have studied the strain field around the 90° domains and misfit dislocations in PbTiO3/SrTiO3 (001 epitaxial thin films, at the nanoscale, using the geometric phase analysis (GPA combined with high-resolution transmission electron microscopy (HRTEM and high-angle annular dark field––scanning transmission electron microscopy (HAADF-STEM. The films typically contain a combination of a/c-mixed domains and misfit dislocations. The PbTiO3 layer was composed from the two types of the a-domain (90° domain: a typical a/c-mixed domain configuration where a-domains are 20–30 nm wide and nano sized domains with a width of about 3 nm. In the latter case, the nano sized a-domain does not contact the film/substrate interface; it remains far from the interface and stems from the misfit dislocation. Strain maps obtained from the GPA of HRTEM images show the elastic interaction between the a-domain and the dislocations. The normal strain field and lattice rotation match each other between them. Strain maps reveal that the a-domain nucleation takes place at the misfit dislocation. The lattice rotation around the misfit dislocation triggers the nucleation of the a-domain; the normal strains around the misfit dislocation relax the residual strain in a-domain; then, the a-domain growth takes place, accompanying the introduction of the additional dislocation perpendicular to the misfit dislocation and the dissociation of the dislocations into two pairs of partial dislocations with an APB, which is the bottom boundary of the a-domain. The novel mechanism of the nucleation and growth of 90° domain in PbTiO3/SrTiO3 epitaxial system has been proposed based on above the results.

  4. Spectroscopic characteristics of praseodymium-doped cubic double sodium-yttrium fluoride crystals Na0.4Y0.6F2.2:Pr3+. Intensities of optical transitions and luminescence kinetics (United States)

    Tkachuk, A. M.; Ivanova, S. E.; Mirzaeva, A. A.; Joubert, M.-F.; Guyot, Y.


    Using the Bridgman-Stockbarger technique, we have grown a series of cubic crystals Na0.4Y0.6F2.2:Pr3+ (NYF:Pr3+) with a content of praseodymium in the range of 0.04-9 at %. We have determined the composition of crystals, evaluated their optical quality, and found the incorporation coefficient of Pr3+ ions into the Na0.4Y0.6F2.2 matrix ( K Pr ˜ 0.9). We have examined optical spectra of NaYF:Pr3+ crystals at room and low (7 K) temperatures in the range of 200-2500 nm. The low-temperature absorption spectra of NYF:Pr3+ crystals have been shown to consist of broad weakly structured bands. Based on the analysis of low-temperature absorption spectra, the structure of the Stark splitting of praseodymium levels has been represented in terms of a model of "quasi-centers," which are characterized by an inhomogeneous broadening of Stark components. From experimental absorption cross-section spectra at T = 300 K, we have calculated oscillator strengths for transitions from the ground state 3 H 4 to excited multiplets 3 H 5, 3 H 6, 3 F j ( j = 2, 3, 4), 1 G 4, 1 D 2, and (3 P j ,1 I 6) ( j = 0, 1, 2). Using the Judd-Ofelt method, we have determined intensity parameters Ω t and found that Ω2 = 0, Ω4 = 4.4 × 10-20, and Ω6 = 2.28 × 10-20 cm2. With these values, we have calculated the probabilities of radiative transitions, the branching coefficients, and the lifetimes of the radiative levels 1 D 2 and 3 P 0. The probabilities of multiphonon nonradiative transitions in NYF:Pr3+ crystals have been estimated. Using the method of kinetic spectroscopy with selective excitation, we have investigated the luminescence decay kinetics of praseodymium from the 3 P 0 and 1 D 2 levels upon their selective resonant excitation by nanosecond laser pulses. The inference has been made that Na0.4Y0.6F2.2:Pr3+ crystals are processable; admit doping by praseodymium in high concentrations; and, with respect to all their radiative characteristics, can be potentially considered as active media for

  5. Star points on cubic surfaces

    NARCIS (Netherlands)

    Nguyen, T.C.


    A cubic surface in P 3 is given by a non-zero cubic homogeneous polynomial in 4 variables. Fixing an ordering of monomials of degree 3 in the polynomial ring k[x0; x1; x2; x3 ], each cubic surface denes a point in P 19 . The locus P 19 of singular cubic surfaces is a closed subset of

  6. Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices (United States)

    Cossu, F.; Tahini, H. A.; Singh, N.; Schwingenschlögl, U.


    Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented (\\text{LaMnO}_3)6-x\\vert(\\text{SrTiO}_3)6+x~(x = -0.5, 0, 0.5) superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.

  7. Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices

    KAUST Repository

    Cossu, Fabrizio


    Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented $(\\\\text{LaMnO}_3)_{6-x}\\\\vert(\\\\text{SrTiO}_3)_{6+x}~(x = -0.5, 0, 0.5)$ superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.

  8. Solution of the Cubic

    Indian Academy of Sciences (India)

    to solving a cubic equation. Thus Cardano's formula filled the essential gap in our understanding of the so- lu tions of polynomial equations. The purpose of this .... great influence on Euler. Finally, it was Euler who uti- lized these symbols throughout his writings and made them the language of mathematics. Thus the mathe-.

  9. Impedance and Stability of M/CGO (M: Ni, Pd, Ru) Co-infiltrated Nb-doped SrTiO3 SOFC Anodes

    DEFF Research Database (Denmark)

    Ramos, Tania; Veltzé, Sune; Reddy Sudireddy, Bhaskar


    Preliminary impedance and stability of Sr0.94Ti0.9Nb0.1O3-δ/10 vol.% 8YSZ (STN94/YSZ) composite electrodes, M/CGO infiltrated (M: Ni, Pd and Ru), has been evaluated in symmetric configuration, at OCV, under various H2O/H2 atmospheres, with H2O contents between 3–50%, at 650–850°C. Initial total R...

  10. Microstructural and electrical characterization of Nb-doped SrTiO3–YSZ composites for solid oxide cell electrodes

    DEFF Research Database (Denmark)

    Reddy Sudireddy, Bhaskar; Blennow Tullmar, Peter; Nielsen, Karsten Agersted


    length scales. The DC electrical conductivity measurements on the STN–8YSZ composites showed a drastic decrease in conductivity when more than 10 vol.% of 8YSZ was used in the composite. The initial metallic conductivity behavior changed to semiconducting type for more than 30 vol.% 8YSZ, confirming...

  11. Charge and spin transport in Nb-doped SrTiO3 using Co/AlOx spin injection contacts

    NARCIS (Netherlands)

    Kamerbeek, Alexander


    The spin of an electron is its intrinsic magnetic property and could be used to realize memory and logic devices, much like the electron charge nowadays, but more energy efficient and with better functionality. To realize control over the electron spin is however challenging and requires material

  12. Cs-corrected scanning transmission electron microscopy investigation of dislocation core configurations at a SrTiO(3)/MgO heterogeneous interface. (United States)

    Zhu, Yuanyuan; Song, Chengyu; Minor, Andrew M; Wang, Haiyan


    Heterostructures and interfacial defects in a 40-nm-thick SrTiO(3) (STO) film grown epitaxially on a single-crystal MgO (001) were investigated using aberration-corrected scanning transmission electron microscopy and geometric phase analysis. The interface of STO/MgO was found to be of the typical domain-matching epitaxy with a misfit dislocation network having a Burgers vector of ½ a(STO) . Our studies also revealed that the misfit dislocation cores at the heterogeneous interface display various local cation arrangements in terms of the combination of the extra-half inserting plane and the initial film plane. The type of the inserting plane, either the SrO or the TiO(2) plane, alters with actual interfacial conditions. Contrary to previous theoretical calculations, the starting film planes were found to be dominated by the SrO layer, i.e., a SrO/MgO interface. In certain regions, the starting film planes change to the TiO(2)/MgO interface because of atomic steps at the MgO substrate surface. In particular, four basic misfit dislocation core configurations of the STO/MgO system have been identified and discussed in relation to the substrate surface terraces and possible interdiffusion. The interface structure of the system in reverse--MgO/STO--is also studied and presented for comparison.

  13. Dielectric and ferroelectric properties of strain-relieved epitaxial lead-free KNN-LT-LS ferroelectric thin films on SrTiO3 substrates (United States)

    Abazari, M.; Akdoǧan, E. K.; Safari, A.


    We report the growth of single-phase (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.10,Sb0.06)O3 thin films on SrRuO3 coated ⟨001⟩ oriented SrTiO3 substrates by using pulsed laser deposition. Films grown at 600°C under low laser fluence exhibit a ⟨001⟩ textured columnar grained nanostructure, which coalesce with increasing deposition temperature, leading to a uniform fully epitaxial highly stoichiometric film at 750°C. However, films deposited at lower temperatures exhibit compositional fluctuations as verified by Rutherford backscattering spectroscopy. The epitaxial films of 400-600nm thickness have a room temperature relative permittivity of ˜750 and a loss tangent of ˜6% at 1kHz. The room temperature remnant polarization of the films is 4μC /cm2, while the saturation polarization is 7.1μC/cm2 at 24kV/cm and the coercive field is ˜7.3kV/cm. The results indicate that approximately 50% of the bulk permittivity and 20% of bulk spontaneous polarization can be retained in submicron epitaxial KNN-LT-LS thin film, respectively. The conductivity of the films remains to be a challenge as evidenced by the high loss tangent, leakage currents, and broad hysteresis loops.

  14. High mobility 2-dimensional electron gas at LaAlO3/SrTiO3 interface prepared by spin coating chemical methods (United States)

    Khan, Tahira; Zhang, Hui; Zhang, Hongrui; Yan, Xi; Hong, Deshun; Han, Furong; Chen, Yuansha; Shen, Baogen; Sun, Jirong


    Highly mobile 2-dimensional electron gases (2DEGs) at the (001), (011) and (111)-oriented LaAlO3/SrTiO3 (LAO/STO) interfaces are obtained using spin coating chemical method, which is a gentle technique without plasma bombardment of the pulsed laser deposition. As revealed by x-ray diffraction spectrum and x-ray reflectivity analysis, the LAO over layer is epitaxially grown, and has a uniform thickness of ˜15 nm, ˜20 nm and ˜26 nm for (001), (011) and (111) orientations, respectively. The interfaces are well metallic down to 2 K. The carrier mobilities are ˜28 000 cm2 V-1 s-1, ˜22 000 cm2 V-1 s-1 and ˜8300 cm2 V-1 s-1 at 2 K for the (001), (011) and (111) LAO/STO interfaces, respectively, and ˜8 cm2 V-1 s-1, ˜4 cm2 V-1 s-1 and ˜4 cm2 V-1 s-1 at room temperature. The present work shows that the spin coating chemical method is a feasible approach to get high quality 2DEG at both the polar/non-polar and polar/polar interfaces.

  15. Stability of the oxygen vacancy induced conductivity in BaSnO3 thin films on SrTiO3 (United States)

    Jaim, H. M. Iftekhar; Lee, Seunghun; Zhang, Xiaohang; Takeuchi, Ichiro


    BaSnO3 (BSO) has emerged as a major candidate for exploration of a variety of functional device applications. In this letter, we report on the role of the oxygen vacancy concentration in the electronic states, the crystal structure, and the transport properties of BSO thin films grown on SrTiO3 substrates by pulsed laser deposition. We fabricated five BSO films systematically reducing the deposition oxygen pressure from 1 × 10-1 Torr to 5 × 10-3 Torr. The BSO films show gradual transition from an insulating one fabricated at 1 × 10-1 Torr to highly conducting ones with decreasing deposition oxygen pressure. X-ray photoelectron spectroscopy measurements show the increasing oxygen vacancy concentration as a function of the decreased deposition oxygen pressure. Films deposited at 5 × 10-3 Torr displayed the lowest room temperature resistivity (1.73 mΩ cm) and the highest concentration of oxygen vacancies. Temperature-dependent resistivity of the samples deposited at low oxygen pressures suggests the presence of shallow states near the conduction band. With decreasing oxygen pressure, the out-of-plane lattice parameter of BSO increases while the in-plane lattice parameter remains nearly the same. Oxygen deficient conducting BSO films with high oxygen vacancies exhibited excellent structural, electronic, and valence state stabilities when they were post-annealed at temperatures up to 760 °C.

  16. Swift heavy ion track formation in SrTiO3 and TiO2 under random, channeling and near-channeling conditions (United States)

    Karlušić, M.; Jakšić, M.; Lebius, H.; Ban-d'Etat, B.; Wilhelm, R. A.; Heller, R.; Schleberger, M.


    Conditions for ion track formation in single crystal SrTiO3 and TiO2 (rutile) after irradiations using swift heavy ion beams with specific energies below 1 MeV/amu were investigated in this work. Rutherford backscattering spectroscopy in channeling was used to measure ion tracks in the bulk, while atomic force microscopy was used for observation of ion tracks on the surfaces. Variations in the ion track sizes and respective thresholds were observed after irradiations under random, channeling and near-channeling conditions close to normal incidence. These variations are attributed to the specifics of the electronic stopping power of swift heavy ions under the investigated conditions. In the case of ion channeling, electronic stopping power is reduced and observed ion tracks are smaller. The opposite was found under the near-channeling conditions when lowering of the ion track formation threshold was observed. We attribute this finding to the oscillating electronic stopping power with large peak values. For both materials, thresholds for bulk and surface ion track formation were found to be surprisingly close, around 10 keV nm-1. Obtained results are compared with predictions of the analytical thermal spike model.

  17. Influence of substrate temperature in BiFeO 3-CoFe 2O 4 nanocomposites deposited on SrTiO 3 (0 0 1) (United States)

    Dix, N.; Muralidharan, R.; Caicedo, J. M.; Hrabovsky, D.; Fina, I.; Fàbrega, L.; Skumryev, V.; Varela, M.; Guyonnet, J.; Paruch, P.; Sánchez, F.; Fontcuberta, J.


    BiFeO 3-CoFe 2O 4 epitaxial nanocomposites have been deposited on SrTiO 3 (0 0 1) substrates by pulsed laser deposition. We present here a study of the influence of the deposition temperature ( TS), in the 550-800 °C range, on the film composition, morphology and microstructure. Electron-probe microanalysis shows strong reduction of the Bi content in the films when increasing TS. Films prepared at TS=750 °C and above are virtually Bi-free. X-ray diffraction (XRD) data show that, due to the volatility of Bi, there is a progressive reduction in the amount of BiFeO 3. The deposition temperature and the concomitant presence of Fe xO y spurious phases in the nanocomposites grown at high temperature promote radical changes in film morphology and magnetization. It thus follows that a temperature range suitable for controlled modification of nanocomposites morphology would be extremely narrow.

  18. Structural, microstructural, and transport properties of highly oriented LaNiO3 thin films deposited on SrTiO3 (100) single crystal (United States)

    Mambrini, G. P.; Leite, E. R.; Escote, M. T.; Chiquito, A. J.; Longo, E.; Varela, J. A.; Jardim, R. F.


    Electrical conductive textured LaNiO3/SrTiO3 (100) thin films were successfully produced by the polymeric precursor method. A comparison between features of these films of LaNiO3 (LNO) when heat treated in a conventional furnace (CF) and in a domestic microwave (MW) oven is presented. The x-ray diffraction data indicated good crystallinity and a structural orientation along the (h00) direction for both films. The surface images obtained by atomic force microscopy revealed similar roughness values, whereas films LNO-MW present slightly smaller average grain size (˜80 nm) than those observed for LNO-CF (60-150 nm). These grain size values were in good agreement with those evaluated from the x-ray data. The transport properties have been studied by temperature dependence of the electrical resistivity ρ(T ) which revealed for both films a metallic behavior in the entire temperature range studied. The behavior of ρ(T ) was investigated, allowing to a discussion of the transport mechanisms in these films.

  19. Topological crystalline insulator PbxSn1-xTe thin films on SrTiO3 (001 with tunable Fermi levels

    Directory of Open Access Journals (Sweden)

    Hua Guo


    Full Text Available In this letter, we report a systematic study of topological crystalline insulator PbxSn1-xTe (0 < x < 1 thin films grown by molecular beam epitaxy on SrTiO3(001. Two domains of PbxSn1-xTe thin films with intersecting angle of α ≈ 45° were confirmed by reflection high energy diffraction, scanning tunneling microscopy, and angle-resolved photoemission spectroscopy (ARPES. ARPES study of PbxSn1-xTe thin films demonstrated that the Fermi level of PbTe could be tuned by altering the temperature of substrate whereas SnTe cannot. An M-shaped valance band structure was observed only in SnTe but PbTe is in a topological trivial state with a large gap. In addition, co-evaporation of SnTe and PbTe results in an equivalent variation of Pb concentration as well as the Fermi level of PbxSn1-xTe thin films.

  20. Magnetism, Spin Texture, and In-Gap States: Atomic Specialization at the Surface of Oxygen-Deficient SrTiO_{3}. (United States)

    Altmeyer, Michaela; Jeschke, Harald O; Hijano-Cubelos, Oliver; Martins, Cyril; Lechermann, Frank; Koepernik, Klaus; Santander-Syro, Andrés F; Rozenberg, Marcelo J; Valentí, Roser; Gabay, Marc


    Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO_{3}, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100  meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t_{2g} itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.

  1. Orientation Control of Interfacial Magnetism at La0.67Sr0.33MnO3/SrTiO3 Interfaces. (United States)

    Guo, Er-Jia; Charlton, Timothy; Ambaye, Haile; Desautels, Ryan D; Lee, Ho Nyung; Fitzsimmons, Michael R


    Understanding the magnetism at the interface between a ferromagnet and an insulator is essential because the commonly posited magnetic "dead" layer close to an interface can be problematic in magnetic tunnel junctions. Previously, degradation of the magnetic interface was attributed to charge discontinuity across the interface. Here, the interfacial magnetism was investigated using three identically prepared La0.67Sr0.33MnO3 (LSMO) thin films grown on different oriented SrTiO3 (STO) substrates by polarized neutron reflectometry. In all cases the magnetization at the LSMO/STO interface is larger than the film bulk. We show that the interfacial magnetization is largest across the LSMO/STO interfaces with (001) and (111) orientations, which have the largest net charge discontinuities across the interfaces. In contrast, the magnetization of LSMO/STO across the (110) interface, the orientation with no net charge discontinuity, is the smallest of the three orientations. We show that a magnetically degraded interface is not intrinsic to LSMO/STO heterostructures. The approach to use different crystallographic orientations provides a means to investigate the influence of charge discontinuity on the interfacial magnetization.

  2. Strong correlations elucidate the electronic structure and phase diagram of LaAlO3/SrTiO3 interface. (United States)

    Maniv, E; Ben Shalom, M; Ron, A; Mograbi, M; Palevski, A; Goldstein, M; Dagan, Y


    The interface between the two band insulators SrTiO3 and LaAlO3 has the unexpected properties of a two-dimensional electron gas. It is even superconducting with a transition temperature, T(c), that can be tuned using gate bias V(g), which controls the number of electrons added or removed from the interface. The gate bias-temperature (V(g), T) phase diagram is characterized by a dome-shaped region where superconductivity occurs, that is, T(c) has a non-monotonic dependence on V(g), similar to many unconventional superconductors. Here, we report, the frequency of the quantum resistance-oscillations versus inverse magnetic field for various V(g). This frequency follows the same non-monotonic behaviour as T(c); a similar trend is seen in the low field limit of the Hall coefficient. We theoretically show that electronic correlations result in a non-monotonic population of the mobile band, which can account for the experimental behaviour of the normal transport properties and the superconducting dome.

  3. Spin-orbit interaction and Kondo scattering at the PrAlO3/SrTiO3 interface: effects of oxygen content (United States)

    Mozaffari, Shirin; Guchhait, Samaresh; Markert, John T.


    We report the effects of oxygen pressure during growth (PO2 ) on the electronic and magnetic properties of PrAlO3 films grown on TiO2 -terminated SrTiO3 substrates. Resistivity measurements show an increase in the sheet resistance as PO2 is increased. The saturation of the sheet resistance down to 0.3 K is consistent with Kondo theory for PO2 ≥slant 10-5 torr. Resistivity data fits indicate Kondo temperatures of 16-18 K. For the 10-4 sample, we measured a moderate positive magnetoresistance (MR) due to a strong spin-orbit (SO) interaction at low magnetic fields that evolves into a larger negative MR at high fields due to the Kondo effect. Analysis of the MR data permitted the extraction of the SO interaction critical field for the PO2=10-5 torr interface ( H_SO=1.25 T). We observed high positive MR for the least oxygenated sample, where a fraction of the n-type carriers are derived from oxygen vacancies and possible cation interdiffusion; for this 6×10-6 torr sample, Hall effect data indicate a thick conducting layer. Its extremely high MR (˜400% ) is attributed to classical behavior due to a distribution of mobilities.

  4. Electronic Structure, spin-orbit coupling and magnetotransport at the LaAlO3/SrTiO3 interface (United States)

    Kestner, Daniel; Banerjee, Sumilan; Randeria, Mohit


    We study the LaAlO3/SrTiO3 interface using self-consistent solution of the Poisson and Hartree-Fock equations in a tight-binding framework. We go beyond the analysis of ref. by modeling the non-linear dielectric properties of STO using a Landau-Ginzburg-Devonshire theory with parameters determined from bulk measurements. We show that it is essential to also include the lifting of the Ti t2g orbital degeneracy to match DFT results. This then allows us to investigate the density dependence of the electronic structure. We compare our results with the Lifshitz transition inferred from Hall data. We calculate magneto-transport with an in-plane magnetic field and find a planar Hall effect and a magneto-resistance that oscillates with the magnetic field orientation due to the interplay of Zeeman and spin-orbit couplings. Finally, we comment on the nature of the spin-orbit coupling across the Lifshitz transition. Supported by the NSF-MRSEC grant DMR-0820414 (D.K. and M.R.) and DOE-BES DE-SC0005035 (S.B.).

  5. Connected Cubic Network Graph

    Directory of Open Access Journals (Sweden)

    Burhan Selçuk


    Full Text Available Hypercube is a popular interconnection network. Due to the popularity of hypercube, more researchers pay a great effort to develop the different variants of hypercube. In this paper, we have proposed a variant of hypercube which is called as “Connected Cubic Network Graphs”, and have investigated the Hamilton-like properties of Connected Cubic Network Graphs (CCNG. Firstly, we defined CCNG and showed the characteristic analyses of CCNG. Then, we showed that the CCNG has the properties of Hamilton graph, and can be labeled using a Gray coding based recursive algorithm. Finally, we gave the comparison results, a routing algorithm and a bitonic sort algorithm for CCNG. In case of sparsity and cost, CCNG is better than Hypercube.

  6. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald


    terms. CTT provides a computational interpretation of functional extensionality, enjoys canonicity for the natural numbers type, and is conjectured to support decidable type-checking. Our new type theory, guarded cubical type theory (GCTT), provides a computational interpretation of extensionality......This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...

  7. 2D Electron Gas with 100% Spin-Polarization in the (LaMnO3)2/(SrTiO3)2 Superlattice under Uniaxial Strain

    KAUST Repository

    Cossu, Fabrizio


    By first-principles calculations we investigate the structural, electronic, and magnetic properties of the (LaMnO3)2/(SrTiO3)2 superlattice. We find that a monoclinic C2h symmetry is energetically favorable and that the spins order ferromagnetically. Under both compressive and tensile uniaxial strain the electronic structure of the superlattice shows a half-metallic character. In particular, a fully spin-polarized two-dimensional electron gas, which traces back to the Ti 3dxy orbitals, is achieved under compressive uniaxial strain. The (LaMnO3)2/(SrTiO3)2 superlattice is analysed with respect to its structure, magnetism, and electronic properties. Our results demonstrate that uniaxial strain in an experimentally accessible range, both tensile and compressive, can be used to induce half-metallicity. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Intrinsic origin of interface states and band offset profiling of nanostructured LaAlO3/SrTiO3 heterojunctions probed by element-specific resonant spectroscopies

    NARCIS (Netherlands)

    Drera, G.; Salvinelli, G.; Bondino, F.; Magnano, E.; Huijben, Mark; Brinkman, Alexander; Sangaletti, L.


    The origin of electronic states at the basis of the 2DEG found in conducting LaAlO 3 /SrTiO 3 interfaces (5 u.c. LaAlO 3 ) is investigated by resonant photoemission experiments at the Ti L 2,3 and La M 4,5 edges. As shown by the resonant enhancement at the Ti L 2,3 edge, electronic states at E F

  9. Electric-Field Induced Reversible Switching of the Magnetic Easy Axis in Co/BiFeO3on SrTiO3. (United States)

    Gao, Tieren; Zhang, Xiaohang; Ratcliff, William; Maruyama, Shingo; Murakami, Makoto; Varatharajan, Anbusathaiah; Yamani, Zahra; Chen, Peijie; Wang, Ke; Zhang, Huairuo; Shull, Robert; Bendersky, Leonid A; Unguris, John; Ramesh, Ramamoorthy; Takeuchi, Ichiro


    Electric-field (E-field) control of magnetism enabled by multiferroic materials has the potential to revolutionize the landscape of present memory devices plagued with high energy dissipation. To date, this E-field controlled multiferroic scheme has only been demonstrated at room temperature using BiFeO 3 films grown on DyScO 3 , a unique and expensive substrate, which gives rise to a particular ferroelectric domain pattern in BiFeO 3 . Here, we demonstrate reversible electric-field-induced switching of the magnetic state of the Co layer in Co/BiFeO 3 (BFO) (001) thin film heterostructures fabricated on (001) SrTiO 3 (STO) substrates. The angular dependence of the coercivity and the remanent magnetization of the Co layer indicates that its easy axis reversibly switches back and forth 45° between the (100) and the (110) crystallographic directions of STO as a result of alternating application of positive and negative voltage pulses between the patterned top Co electrode layer and the (001) SrRuO 3 (SRO) layer on which the ferroelectric BFO is epitaxially grown. The coercivity (H C ) of the Co layer exhibits a hysteretic behavior between two states as a function of voltage. A mechanism based on the intrinsic magnetoelectric coupling in multiferroic BFO involving projection of antiferromagnetic G-type domains is used to explain the observation. We have also measured the exact canting angle of the G-type domain in strained BFO films for the first time using neutron diffraction. These results suggest a pathway to integrating BFO-based devices on Si wafers for implementing low power consumption and nonvolatile magnetoelectronic devices.

  10. Semiclassical theory of anisotropic transport at LaAlO3/SrTiO3 interfaces under an in-plane magnetic field (United States)

    Bovenzi, N.; Diez, M.


    The unconventional magnetotransport at the interface between transition-metal oxides LaAlO3 (LAO ) and SrTiO3 (STO ) is frequently related to mobile electrons interacting with localized magnetic moments. However, nature and properties of magnetism at this interface are not well understood so far. In this paper, we focus on transport effects driven by spin-orbit coupling and intentionally neglect possible strong correlations. The electrical resistivity tensor is calculated as a function of the magnitude and orientation of an external magnetic field parallel to the interface. The semiclassical Boltzmann equation is solved numerically for the two-dimensional system of spin-orbit coupled electrons accelerated by an electric field and scattered by spatially correlated impurities. At temperatures of a few Kelvin and densities such that the chemical potential crosses the second pair of spin-orbit split bands, we find a strongly anisotropic modulation of the (negative) magnetoresistance above 10 T , characterized by multiple maxima and minima away from the crystalline axes. Along with the drop of the magnetoresistance, an abrupt enhancement of the transverse resistivity occurs. The angular modulation of the latter considerably deviates from a (low-field) sinusoidal dependence to a (high-field) step-like behavior. These peculiar features are the consequences of the anisotropy of both intraband and interband scattering amplitudes in the Brillouin zone when the relevant energy scales in the system—chemical potential, spin-orbit interaction, and Zeeman energy—are all comparable to each other. The theory provides good qualitative agreement with experimental data in the literature.

  11. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald


    types. This further expands the foundations of CTT as a basis for formalisation in mathematics and computer science. We present examples to demonstrate the expressivity of our type theory, all of which have been checked using a prototype type-checker implementation, and present semantics in a presheaf......This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type-checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...

  12. Large reduction of leakage current by graded-layer La doping in $(Ba_0_._5, Sr_0_._5)TiO_3$ thin films


    Saha, S.; Krupanidhi, SB


    A large reduction in the leakage current behavior in (Ba, Sr)TiO3 (BST) thin films was observed by graded-layer donor doping. The graded doping was achieved by introducing La-doped BST layers in the grown BST films. The films showed a large decrease (about six orders of magnitude) in the leakage current in comparison to undoped films at an electric field of 100 kV/cm. The large decrease in leakage current was attributed to the formation of highly resistive layers, originating from compensatin...

  13. Extreme mobility enhancement of two-dimensional electron gases at oxide interfaces via charge transfer induced modulation doping

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Trier, Felix; Wijnands, T.


    The discovery of two-dimensional electron gases (2DEGs) at the interface between two insulating complex oxides, such as LaAlO3 (LAO) or gamma-Al2O3 (GAO) epitaxially grown on SrTiO3 (STO), provides an opportunity for developing all-oxide electronic devices. These 2DEGs at complex oxide interfaces...... than two orders of magnitude. Our in-situ and resonant x-ray spectroscopic in addition to transmission electron microscopy results indicate that the manganite layer undergoes unambiguous electronic reconstruction and leads to modulation doping of such atomically engineered complex oxide......The discovery of two-dimensional electron gases (2DEGs) at the interface between two insulating complex oxides, such as LaAlO3 (LAO) or gamma-Al2O3 (GAO) epitaxially grown on SrTiO3 (STO), provides an opportunity for developing all-oxide electronic devices. These 2DEGs at complex oxide interfaces...

  14. Non-spherical micelles in an oil-in-water cubic phase

    DEFF Research Database (Denmark)

    Leaver, M.; Rajagopalan, V.; Ulf, O.


    The cubic phase formed between the microemulsion and hexagonal phases of the ternary pentaethylene glycol dodecyl ether (C12E5)-decane-water system and that doped with small amounts of sodium dodecylsulfate (SDS) have been investigated. The presence of discrete oil-swollen micelles in the cubic...... scattering experiments indicate that the lattice parameter for the cubic phase is inconsistent with a simple packing of micelles. Whilst insufficient reflections were observed to establish the space group of the cubic phase uniquely, those that were are consistent with two commonly observed space groups...

  15. Influence of strontium on the cubic to ordered hexagonal phase ...

    Indian Academy of Sciences (India)


    Abstract. Oxides of the type Ba3–xSrxMgNb2O9 were synthesized by the solid state route. The x = 0 compo- sition (Ba3MgNb2O9) was found to crystallize in a disordered (cubic) perovskite structure when sintered at. 1000C. For higher Sr doping (x ≥ 0⋅5), there was clearly the presence of an ordered hexagonal phase ...

  16. Octanuclear cubic coordination cages. (United States)

    Tidmarsh, Ian S; Faust, Thomas B; Adams, Harry; Harding, Lindsay P; Russo, Luca; Clegg, William; Ward, Michael D


    Two new bis-bidentate bridging ligands have been prepared, L (naph) and L (anth), which contain two chelating pyrazolyl-pyridine units connected to an aromatic spacer (naphthalene-1,5-diyl and anthracene-9,10-diyl respectively) via methylene connectors. Each of these reacts with transition metal dications having a preference for octahedral coordination geometry to afford {M 8L 12} (16+) cages (for L (anth), M = Cu, Zn; for L (naph), M = Co, Ni, Cd) which have an approximately cubic arrangement of metal ions with a bridging ligand spanning each of the twelve edges, and a large central cavity containing a mixture of anions and/or solvent molecules. The cages based on L (anth) have two cyclic helical {M 4L 4} faces, of opposite chirality, connected by four additional L (anth) ligands as "pillars"; all metal centers have a meridional tris-chelate configuration. In contrast the cages based on L (naph) have (noncrystallographic) S 6 symmetry, with a diagonally opposite pair of corners having a facial tris-chelate configuration with the other six being meridional. An additional significant difference between the two types of structure is that the cubes containing L (anth) do not show significant interligand aromatic stacking interactions. However, in the cages based on L (naph), there are six five-membered stacks of aromatic ligand fragments around the periphery, each based on an alternating array of electron-rich (naphthyl) and electron-deficient (pyrazolyl-pyridine, coordinated to M (2+)) aromatic units. A consequence of this is that the cages {M 8(L (naph)) 12} (16+) retain their structural integrity in polar solvents, in contrast to the cages {M 8(L (anth)) 12} (16+) which dissociate in polar solvents. Consequently, the cages {M 8(L (naph)) 12} (16+) give NMR spectra in agreement with the symmetry observed in the solid state, and their fluorescence spectra (for M = Cd) display (in addition to the normal naphthalene-based pi-pi* fluorescence) a lower-energy exciplex

  17. Nonaqueous and halide-free route to crystalline BaTiO3, SrTiO3, and (Ba,Sr)TiO3 nanoparticles via a mechanism involving C-C bond formation. (United States)

    Niederberger, Markus; Garnweitner, Georg; Pinna, Nicola; Antonietti, Markus


    A novel nonaqueous route for the preparation of nanocrystalline BaTiO(3), SrTiO(3), and (Ba,Sr)TiO(3) has been developed. In a simple one-pot reaction process, the elemental alkaline earth metals are directly dissolved in benzyl alcohol at slightly elevated temperatures. After the addition of Ti(O(i)Pr)(4), the reaction mixture is heated to 200 degrees C, resulting in the formation of a white precipitate. XRD measurements prove the exclusive presence of the perovskite phase without any other crystalline byproducts such as BaCO(3) or TiO(2). TEM investigations reveal that the BaTiO(3) nanoparticles are nearly spherical in shape with diameters ranging from 4 to 5 nm. The SrTiO(3) particles display less uniform particle shapes, and the size varies between 5 and 10 nm. Lattice fringes observed in HRTEM measurements further prove the high crystallinity of the nanoparticles. Surprisingly, GC-MS analysis of the reaction solution after hydrothermal treatment shows that hardly any ether formation occurs during the BaTiO(3) synthesis. Instead, the presence of 4-phenyl-2-butanol in stoichiometric amounts gives evidence that the formation mechanism proceeds mainly via a novel pathway involving C-C bond formation between benzyl alcohol and the isopropanolate ligand.


    Directory of Open Access Journals (Sweden)



    applications in digital image processing and in the study of dynamical systems, but in the actual literature there is not an extension of their properties using fuzzy sets. In this paper is proposed a generalization of the concept of cubical complex and of some of their properties, such as connectedness, polyhedral realization, connected component and holes, using fuzzy sets. The upper and lower trees of a fuzzy cubical complex are defined, which give information about the way in which its regional extrema are related. The homology groups of a fuzzy cubical complex are defined and it is shown that the rank of the 0-homology group of a given level is equal with the number of regional maxima of that level. Finally, it is shown how to associate a fuzzy cubical complex with a bidimensional digital grayscale image in order to study somo of its topological properties.

  19. Electron spin dynamics in cubic GaN (United States)

    Buß, J. H.; Schupp, T.; As, D. J.; Brandt, O.; Hägele, D.; Rudolph, J.


    The electron spin dynamics in cubic GaN is comprehensively investigated by time-resolved magneto-optical Kerr-rotation spectroscopy over a wide range of temperatures, magnetic fields, and doping densities. The spin dynamics is found to be governed by the interplay of spin relaxation of localized electrons and Dyakonov-Perel relaxation of delocalized electrons. Localized electrons significantly contribute to spin relaxation up to room temperature at moderate doping levels, while Dyakonov-Perel relaxation dominates for high temperatures or degenerate doping levels. Quantitative agreement to Dyakonov-Perel theory requires a larger value of the spin-splitting constant than theoretically predicted. Possible reasons for this discrepancy are discussed, including the role of charged dislocations.

  20. Effective improvement of interface modified strontium titanate based solid oxide fuel cell anodes by infiltration with nano-sized palladium and gadolinium-doped cerium oxide

    DEFF Research Database (Denmark)

    Abdul Jabbar, Mohammed Hussain; Høgh, Jens Valdemar Thorvald; Zhang, Wei


    ) contributed to a significant improvement in performance of the STN backbones and infiltrated electrodes. The improvement is due to the result of CGO enrichment at the interface. The impedance analysis showed that addition of Pd further increased the electrode reaction rate with a factor 10 with respect......The development of low temperature solid oxide fuel cell (SOFC) anodes by infiltration of Pd/Gd-doped cerium oxide (CGO) electrocatalysts in Nb-doped SrTiO3 (STN) backbones has been investigated. Modification of the electrode/electrolyte interface by thin layer of spin-coated CGO (400-500 nm...

  1. Cryptographic Analysis in Cubic Time

    DEFF Research Database (Denmark)

    Nielson, Flemming; Nielson, Hanne Riis; Seidl, H.


    The spi-calculus is a variant of the polyadic pi-calculus that admits symmetric cryptography and that admits expressing communication protocols in a precise though still abstract way. This paper shows that context-independent control flow analysis can be calculated in cubic time despite the fact...... that the spi-calculus operates over an infinite universe of values. Our approach is based on Horn Clauses with Sharing and we develop transformations to pass from the infinite to the finite and to deal with the polyadic nature of input and output. We prove that this suffices for obtaining a cubic time...

  2. Electrical and piezoelectric properties of BiFeO3 thin films grown on SrxCa1−xRuO3-buffered SrTiO3 substrates

    KAUST Repository

    Yao, Yingbang


    (001)-oriented BiFeO 3 (BFO) thin films were grown on Sr xCa 1-xRuO 3- (SCRO; x = 1, 0.67, 0.33, 0) buffered SrTiO 3 (001) substrates using pulsed laser deposition. The microstructural, electrical, ferroelectric, and piezoelectric properties of the thin films were considerably affected by the buffer layers. The interface between the BFO films and the SCRO-buffer layer was found to play a dominant role in determining the electrical and piezoelectric behaviors of the films. We found that films grown on SrRuO 3-buffer layers exhibited minimal electrical leakage while films grown on Sr 0.33Ca 0.67RuO 3-buffer layers had the largest piezoelectric response. The origin of this difference is discussed. © 2012 American Institute of Physics.

  3. Large tunneling anisotropic magnetoresistance in La0.7Sr0.3MnO3/pentacene/Cu structures prepared on SrTiO3 (110) substrates (United States)

    Kamiya, Takeshi; Miyahara, Chihiro; Tada, Hirokazu


    We investigated tunneling anisotropic magnetoresistance (TAMR) at the interface between pentacene and La0.7Sr0.3MnO3 (LSMO) thin films prepared on SrTiO3 (STO) (110) substrates. The dependence of the TAMR ratio on the magnetic field strength was approximately ten times larger than that of the magnetic field angle at a high magnetic field. This large difference in the TAMR ratio is explained by the interface magnetic anisotropy of strain-induced LSMO thin films on a STO (110) substrate, which has an easy axis with an out-of-plane component. We also note that the TAMR owing to out-of-plane magnetization was positive at each angle of the in-plane magnetic field. This result implies that active control of the interface magnetic anisotropy between organic materials and ferromagnetic metals should realize nonvolatile and high-efficiency TAMR devices.

  4. Temperature dependence of photoluminescence spectra of bilayer two-dimensional electron gases in LaAlO3/SrTiO3 superlattices: coexistence of Auger recombination and single-carrier trapping

    Directory of Open Access Journals (Sweden)

    H. J. Harsan Ma


    Full Text Available We report emerging photoluminescence (PL of bilayer two-dimensional electron gases (2DEG in LaAlO3/SrTiO3 (LAO/STO systems. A strong blue PL emerges in bilayer-2DEGs in LAO/STO/LAO/STO which doesn’t show in LAO/STO. PL band in bilayer-2DEGs includes both nearly temperature independent Auger recombination and temperature dependent free electron trapping while it crossovers from Auger recombination to single carrier trapping in LAO/STO. The PL signal of free electron trapping appears at high temperatures and it is much stronger than Auger recombination in the conducting channel in bilayer 2DEGs. This observation shows that high mobility carriers dominate the carrier dynamics in bilayer-2DEGs in LAO/STO superlattices.

  5. Cubication of Conservative Nonlinear Oscillators (United States)

    Belendez, Augusto; Alvarez, Mariela L.; Fernandez, Elena; Pascual, Immaculada


    A cubication procedure of the nonlinear differential equation for conservative nonlinear oscillators is analysed and discussed. This scheme is based on the Chebyshev series expansion of the restoring force, and this allows us to approximate the original nonlinear differential equation by a Duffing equation in which the coefficients for the linear…

  6. Enhancing photocatalytic activity for hydrogen production and pollutant degradation by modifying tetragonal ZrO2 with monolayers slab surface of BiVO4, Ag3PO4, SrTiO3 and WO3: A first-principles study

    CSIR Research Space (South Africa)

    Opoku, F


    Full Text Available Semiconductor-based photocatalysis has received increasing attention in energy storage and environmental remediation process due to the abundant solar energy. For this purpose, heterostructures of ZrO2 coupled with BiVO4, Ag3PO4, SrTiO3 and WO3...

  7. Cubication of conservative nonlinear oscillators

    Energy Technology Data Exchange (ETDEWEB)

    Belendez, Augusto; Alvarez, Mariela L [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain); Fernandez, Elena; Pascual, Inmaculada [Departamento de Optica, FarmacologIa y Anatomia, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain)], E-mail:


    A cubication procedure of the nonlinear differential equation for conservative nonlinear oscillators is analysed and discussed. This scheme is based on the Chebyshev series expansion of the restoring force, and this allows us to approximate the original nonlinear differential equation by a Duffing equation in which the coefficients for the linear and cubic terms depend on the initial amplitude, A, while in a Taylor expansion of the restoring force these coefficients are independent of A. The replacement of the original nonlinear equation by an approximate Duffing equation allows us to obtain an approximate frequency-amplitude relation as a function of the complete elliptic integral of the first kind. Some conservative nonlinear oscillators are analysed to illustrate the usefulness and effectiveness of this scheme.

  8. Key parameters governing the densification of cubic-Li7La3Zr2O12 Li+ conductors (United States)

    Yi, Eongyu; Wang, Weimin; Kieffer, John; Laine, Richard M.


    Cubic-Li7La3Zr2O12 (LLZO) is regarded as one of the most promising solid electrolytes for the construction of inherently safe, next generation all-solid-state Li batteries. Unfortunately, sintering these materials to full density with controlled grain sizes, mechanical and electrochemical properties relies on energy and equipment intensive processes. In this work, we elucidate key parameters dictating LLZO densification by tracing the compositional and structural changes during processing calcined and ball-milled Al3+ doped LLZO powders. We find that the powders undergo ion (Li+/H+) exchange during room temperature processing, such that on heating, the protonated LLZO lattice collapses and crystallizes to its constituent oxides, leading to reaction driven densification at ionic conductivity (1.3 ± 0.1 mS cm-1) and record low ionic area specific resistance (2 Ω cm2).

  9. Numbers for reducible cubic scrolls

    Directory of Open Access Journals (Sweden)

    Israel Vainsencher


    Full Text Available We show how to compute the number of reducible cubic scrolls of codimension 2 in (math blackboard symbol Pn incident to the appropriate number of linear spaces.Mostramos como calcular o número de rolos cúbicos redutíveis de codimensão 2 em (math blackboard symbol Pn incidentes a espaços lineares apropriados.

  10. Randomized Block Cubic Newton Method

    KAUST Repository

    Doikov, Nikita


    We study the problem of minimizing the sum of three convex functions: a differentiable, twice-differentiable and a non-smooth term in a high dimensional setting. To this effect we propose and analyze a randomized block cubic Newton (RBCN) method, which in each iteration builds a model of the objective function formed as the sum of the natural models of its three components: a linear model with a quadratic regularizer for the differentiable term, a quadratic model with a cubic regularizer for the twice differentiable term, and perfect (proximal) model for the nonsmooth term. Our method in each iteration minimizes the model over a random subset of blocks of the search variable. RBCN is the first algorithm with these properties, generalizing several existing methods, matching the best known bounds in all special cases. We establish ${\\\\cal O}(1/\\\\epsilon)$, ${\\\\cal O}(1/\\\\sqrt{\\\\epsilon})$ and ${\\\\cal O}(\\\\log (1/\\\\epsilon))$ rates under different assumptions on the component functions. Lastly, we show numerically that our method outperforms the state-of-the-art on a variety of machine learning problems, including cubically regularized least-squares, logistic regression with constraints, and Poisson regression.

  11. Cubic Matrix, Nambu Mechanics and Beyond


    Yoshiharu, KAWAMURA; Department of Physics, Shinshu University


    We propose a generalization of cubic matrix mechanics by introducing a canonical triplet and study its relation to Nambu mechanics. The generalized cubic matrix mechanics we consider can be interpreted as a 'quantum' generalization of Nambu mechanics.

  12. Cubic Matrix, Nambu Mechanics and Beyond


    Kawamura, Y.


    We propose a generalization of cubic matrix mechanics by introducing a canonical triplet and study its relation to Nambu mechanics. The generalized cubic matrix mechanics we consider can be interpreted as a “quantum” generalization of Nambu mechanics.

  13. Solving Cubic Equations by Polynomial Decomposition (United States)

    Kulkarni, Raghavendra G.


    Several mathematicians struggled to solve cubic equations, and in 1515 Scipione del Ferro reportedly solved the cubic while participating in a local mathematical contest, but did not bother to publish his method. Then it was Cardano (1539) who first published the solution to the general cubic equation in his book "The Great Art, or, The Rules of…

  14. Cubic colloids : Synthesis, functionalization and applications

    NARCIS (Netherlands)

    Castillo, S.I.R.


    This thesis is a study on cubic colloids: micron-sized cubic particles with rounded corners (cubic superballs). Owing to their shape, particle packing for cubes is more efficient than for spheres and results in fascinating phase and packing behavior. For our cubes, the particle volume fraction when

  15. Photo- and cathodoluminescence of Eu3+ or Tb3+ doped CaZrO3 films prepared by pulsed laser deposition (United States)

    Ueda, Kazushige; Shimizu, Yuhei; Takashima, Hiroshi; Massuyeau, Florian; Jobic, Stéphane


    Luminescent films of Eu3+ or Tb3+ doped CaZrO3 were epitaxially grown on SrTiO3 or LaAlO3 (001) single crystal substrates by pulsed laser deposition (PLD). They showed a high transmittance in the visible region and a smooth surface. Uniform red photoluminescence (PL) was observed from Eu3+ 5% doped films, and blue and green PL was observed from Tb3+ 0.5% and 5% doped films, respectively. These PL spectra of the films turned out to be very similar to those of the powder samples. Practically, it has to be noticed the use of a LaAlO3 substrate is necessary for intense blue luminescence for Tb3+ 0.5% doped films to avoid optical absorption of emitted light by the SrTiO3 substrate. The cathodoluminescence (CL) spectra of the red and green luminescent films were almost the same as those PL spectra. In contrast, blue CL was significantly enhanced in CL compared to PL. This was attributed to the shorter lifetime of the 5D3-7FJ transitions and many excited electron-hole pairs, which were generated rapidly on high energy electron irradiation.

  16. Crystal structure and magnetism in κ-Al2O3-type AlxFe2-xO3 films on SrTiO3(111) (United States)

    Hamasaki, Yosuke; Shimizu, Takao; Yasui, Shintaro; Shiraishi, Takahisa; Akama, Akihiro; Kiguchi, Takanori; Taniyama, Tomoyasu; Itoh, Mitsuru


    We prepared κ-Al2O3-type structured AlxFe2-xO3 films in the range of x = 0 - 1.70 deposited on SrTiO3(111) substrates and investigated their crystal structures and magnetic properties. All films could be stabilized in the κ-Al2O3-type orthorhombic phase, and the lattice parameters were found to be monotonically decreased with an increase in the Al content. Néel temperature of AlxFe2-xO3 films was found to decrease with an increase in Al content, until the Al1.70Fe0.30O3 film showed paramagnetic behavior. On the other hand, saturation magnetization showed a maximum 0.79 μB/Fe at 10 K in the Al0.91Fe1.09O3 film, manifesting the preferential occupation of Al in the tetrahedral site. Cross sectional TEM observation has revealed the columnar growth of AlxFe2-xO3 films with an average width of ˜10 nm on the bottom layer that may have a similar cation arrangement with a bixbyite-type structure.

  17. Preparation of (11n) oriented Bi2Sr2CaCu2O8+x thin films without c-axis twin structure by the metal-organic decomposition method using vicinal SrTiO3 (110) substrates (United States)

    Yamada, Yasuyuki; Kato, Takahiro; Ishibashi, Takayuki; Okamoto, Tomoichiro; Mori, Natsuki


    We have prepared (11n) oriented Bi2Sr2CaCu2O8+x (Bi2212) thin films by metal-organic decomposition method. The vicinal (110) substrate of SrTiO3 (STO) inclined toward the [1 ¯ 10] direction was used for suppressing "c-twinning". In the sample prepared in the O2 atmosphere, only the (11n) peak appeared in the θ-2θ X-ray diffraction pattern. When the miscut angle of the substrate was φ = 10°, it was shown by the scanning electron microscope images and the (008) pole figures that the c-axis was inclined by about 38° and the c-twinning was substantially suppressed. ρab and ρc of this sample were calculated by the corrected van der Pauw method and component calculation of the two-dimensional resistivity tensor. The superconducting transition temperatures were Tc = 81 K. The temperature dependence of ρab was a typical metallic behavior reflecting the characteristics of the ab-plane of Bi2212. On the other hand, that of ρc did not become a typical semiconductor behavior in the c-axis direction of Bi2212, but it showed a metallic behavior. The anisotropic parameter γ was about 10.

  18. Absence of traditional magnetoresistivity mechanisms in Sr2FeMoO6 thin films grown on SrTiO3, MgO and NdGaO3 substrates. (United States)

    Saloaro, M; Majumdar, S; Huhtinen, H; Paturi, P


    Magnetoresistive double perovskite Sr(2)FeMoO(6) thin films were grown with two different deposition pressures on SrTiO(3), MgO and NdGaO(3) substrates by pulsed laser deposition and thorough structural, magnetic and magneto-transport characterization was made. According to x-ray diffraction, all the films were phase pure and fully textured. Indication of substrate dependent strain and low angle grain boundaries was found, especially in films on MgO. Both the deposition pressure and the choice of the substrate have a strong influence on the saturation magnetization, M(s), and Curie temperature, T(C). The structural and magnetic data indicate the presence of anti-site disorder (ASD) in the films. The temperature dependence of resistivity showed semiconductive behaviour at temperatures below 100 K and metallic behaviour at higher temperatures. The semiconductive behaviour was found to increase with increasing ASD. In good quality films, up to 12% negative magnetoresistance (MR) was observed and films grown on MgO and NGO substrates also showed low field MR. However, the most significant observation of this study was that the magnetoresistivity of these Sr(2)FeMoO(6) thin films could not be explained with any traditional MR mechanism, but carried the clear signature of superposition of different mechanisms, in particular low angle grain boundary tunnelling and suppression of antiferromagnetically ordered domains under a magnetic field.

  19. Origin of insulating weak-ferromagnetic phase in ultra-thin La0.67Sr0.33MnO3 films on SrTiO3 substrate

    Directory of Open Access Journals (Sweden)

    Yun Li


    Full Text Available We investigate the origin of insulating weak-ferromagnetic phase in ultra-thin epitaxial La0.67Sr0.33MnO3 (LSMO films on SrTiO3 substrate using density functional theory calculation together with X-ray linear dichroism (XLD. The calculations show that symmetry breaking of the crystal field at the LSMO surface largely lowers the energy level of Mn d3z2 orbital at the surface and leads to full occupancy of the d3z2 orbital in majority spin channel, and XLD spectra clearly show the preferential occupation of Mn d3z2 orbital at the surface. Such an orbital reconstruction and charge redistribution in the ultra-thin films largely suppresses double-exchange interaction and favors super-exchange interaction, resulting in G-type antiferromagnetic spin ordering and insulating state. The anisotropic exchange interaction due to spin-orbital interaction leads to spin canting, and thus the films show weak ferromagnetism.

  20. Elemental intermixing within an ultrathin SrRuO3 electrode layer in epitaxial heterostructure BaTiO3/SrRuO3/SrTiO3

    Directory of Open Access Journals (Sweden)

    H. B. Zhang


    Full Text Available Aberration corrected scanning transmission electron microscopy is used to directly observe atom columns in an epitaxial BaTiO3 thin film deposited on a 3.6 nm-thick SrRuO3 electrode layer above an SrTiO3 (001 substrate. Compositional gradients across the heterointerfaces were examined using electron energy-loss spectroscopy techniques. It was found that a small amount of Ba and Ti had diffused into the SrRuO3 layer, and that this layer contained a non-negligible concentration of oxygen vacancies. Such point defects are expected to degrade the electrode’s electronic conductivity drastically, resulting in a much longer screening length. This may explain the discrepancy between experimental measurements and theoretical estimates of the ferroelectric critical thickness of a BaTiO3 ferroelectric barrier sandwiched between metallic SrRuO3 electrodes, since theoretical calculations generally assume ideal (stoichiometric perovskite SrRuO3.

  1. Out-of-plane magnetic domain structure in a thin film of La0.67Sr0.33MnO3 on SrTiO3 (001) observed by magnetic force microscopy (United States)

    Houwman, E. P.; Maris, G.; de Luca, G. M.; Niermann, N.; Rijnders, G.; Blank, D. H. A.; Speller, S.


    The room temperature out-of-plane magnetization of epitaxial thin films of La0.67Sr0.33MnO3 on SrTiO3 (001) has been investigated with magnetic force microscopy, using magnetic tips with very small coercivity, relative to the film. A clear magnetic pattern in the form of a checkerboard, with domain dimensions of a few hundred nanometers, was found for the thin, coherently strained films, which is approximately aligned along the maximum strain [110] and [11¯0] directions in the film. With increasing in-plane applied magnetic field, the magnetic contrast reduces, reflecting the rotation of the magnetization vector into the plane of the film. This process is reversible with the field. The out-of-plane magnetic pattern is not sensitive to rotation of the in-plane field. We attribute the observed out-of-plane magnetization component to an out-of-plane magnetic anisotropy, which is a remainder of the [111] magnetic easy axis in bulk La0.67Sr0.33MnO3 single crystal.

  2. Cubical local partial orders on cubically subdivided spaces - existence and construction

    DEFF Research Database (Denmark)

    Fajstrup, Lisbeth

    The geometric models of Higher Dimensional Automata and Dijkstra's PV-model are cubically subdivided topological spaces with a local partial order. If a cubicalization of a topological space is free of immersed cubic Möbius bands, then there are consistent choices of direction in all cubes, such ...

  3. Topics in Cubic Special Geometry

    CERN Document Server

    Bellucci, Stefano; Roychowdhury, Raju


    We reconsider the sub-leading quantum perturbative corrections to N=2 cubic special Kaehler geometries. Imposing the invariance under axion-shifts, all such corrections (but the imaginary constant one) can be introduced or removed through suitable, lower unitriangular symplectic transformations, dubbed Peccei-Quinn (PQ) transformations. Since PQ transformations do not belong to the d=4 U-duality group G4, in symmetric cases they generally have a non-trivial action on the unique quartic invariant polynomial I4 of the charge representation R of G4. This leads to interesting phenomena in relation to theory of extremal black hole attractors; namely, the possibility to make transitions between different charge orbits of R, with corresponding change of the supersymmetry properties of the supported attractor solutions. Furthermore, a suitable action of PQ transformations can also set I4 to zero, or vice versa it can generate a non-vanishing I4: this corresponds to transitions between "large" and "small" charge orbit...

  4. (real and complex) of the general cubic

    African Journals Online (AJOL)

    ES Obe

    + cx + d = 0 have been formulated and presented. The explicit hyperbolic expressions for the complex roots have been developed for the first time in history thereby enabling the establishment of harmony in the solution of cubic equations. Also, four alternative expressions for the only real root of the cubic have also been ...

  5. Strain-induced nanostructure of Pb(Mg1/3Nb2/3)O3-PbTiO3 on SrTiO3 epitaxial thin films with low PbTiO3 concentration (United States)

    Kiguchi, Takanori; Fan, Cangyu; Shiraishi, Takahisa; Konno, Toyohiko J.


    The singularity of the structure in (1 - x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-xPT) (x = 0-50 mol %) epitaxial thin films of 100 nm thickness was investigated from the viewpoint of the localized residual strain in the nanoscale. The films were deposited on SrTiO3 (STO) (001) single-crystal substrates by chemical solution deposition (CSD) using metallo-organic decomposition (MOD) solutions. X-ray and electron diffraction patterns revealed that PMN-xPT thin films included a single phase of the perovskite-type structure with the cube-on-cube orientation relationship between PMN-xPT and STO: (001)Film ∥ (001)Sub, [100]Film ∥ [100]Sub. X-ray reciprocal space maps showed an in-plane tensile strain in all the compositional ranges considered. Unit cells in the films were strained from the rhombohedral (pseudocubic) (R) phase to a lower symmetry crystal system, the monoclinic (MB) phase. The morphotropic phase boundary (MPB) that split the R and tetragonal (T) phases was observed at x = 30-35 for bulk crystals of PMN-xPT, whereas the strain suppressed the transformation from the R phase to the T phase in the films up to x = 50. High-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) analysis and its related local strain analysis revealed that all of the films have a bilayer morphology. The nanoscale strained layer formed only above the film/substrate semi-coherent interface. The misfit dislocations generated the localized and periodic strain fields deformed the unit cells between the dislocation cores from the R to an another type of the monoclinic (MA) phase. Thus, the singular and localized residual strains in the PMN-xPT/STO (001) epitaxial thin films affect the phase stability around the MPB composition and result in the MPB shift phenomena.

  6. Quadratic-like dynamics of cubic polynomials


    Blokh, Alexander; Oversteegen, Lex; Ptacek, Ross; Timorin, Vladlen


    A small perturbation of a quadratic polynomial with a non-repelling fixed point gives a polynomial with an attracting fixed point and a Jordan curve Julia set, on which the perturbed polynomial acts like angle doubling. However, there are cubic polynomials with a non-repelling fixed point, for which no perturbation results into a polynomial with Jordan curve Julia set. Motivated by the study of the closure of the Cubic Principal Hyperbolic Domain, we describe such polynomials in terms of thei...

  7. Heisenberg antiferromagnets with exchange and cubic anisotropies

    Energy Technology Data Exchange (ETDEWEB)

    Bannasch, G [MPI fuer Physik komplexer Systeme, 01187 Dresden (Germany); Selke, W, E-mail: selke@physik.rwth-aachen.d [Institut fuer Theoretische Physik, RWTH Aachen University and JARA-SIM, 52056 Aachen (Germany)


    We study classical Heisenberg antiferromagnets with uniaxial exchange anisotropy and a cubic anisotropy term on simple cubic lattices in an external magnetic field using ground state considerations and extensive Monte Carlo simulations. In addition to the antiferromagnetic phase field-induced spin-flop and non-collinear, biconical phases may occur. Phase diagrams and critical as well as multicritical phenomena are discussed. Results are compared to previous findings.

  8. Effect of fabrication conditions on phase formation and properties of epitaxial (PbMg1/3Nb2/3O3)0.67-(PbTiO3)0.33 thin films on (001) SrTiO3


    Muhammad Boota; Houwman, Evert P.; Minh D. Nguyen; Giulia Lanzara; Guus Rijnders


    The pulsed laser deposition process of 300nm thick films of Pb(Mg1/3Nb2/3)O3)0.67-(PbTiO3)0.33 on (001)-oriented SrTiO3 was studied by varying deposition pressure, substrate deposition temperature, laser fluence on the target and target-substrate distance. Perovskite phase pure, (001)-oriented, epitaxial smooth films were obtained in a narrow range of deposition parameters. The ferroelectric and dielectric properties of films fabricated within this parameter range still vary significantly. Th...

  9. High mobility La-doped BaSnO3 on non-perovskite MgO substrate (United States)

    Kim, Youjung; Shin, Juyeon; Kim, Young Mo; Char, Kookrin

    (Ba,La)SnO3 is a transparent perovskite oxide with high electron mobility and excellent oxygen stability. Field effect device with (Ba,La)SnO3 channel was reported to show good output characteristics on STO substrate. Here, we fabricated (Ba,La)SnO3\\ films and field effect devices with (Ba,La)SnO3 channel on non-perovskite MgO substrates, which are available in large size wafers. X-ray diffraction and transmission electron microscope (TEM) images of (Ba,La)SnO3\\ films on MgO substrates show that the films are epitaxial with many threading dislocations. (Ba,La)SnO3 exhibits the high mobility with 97.2 cm2/Vs at 2 % La doping on top of 150 nm thick BaSnO3 buffer layer. Excellent carrier modulation was observed in field effect devices. FET performances on MgO substrates are slightly better than those on SrTiO3 substrates in spite of the higher dislocation density on MgO than on SrTiO3 substrates. These high mobility BaSnO3 thin films and transistors on MgO substrates will accelerate development for applications in high temperature and high power electronics. Samsung Science and Technology Foundation.

  10. High temperature thermoelectric properties of strontium titanate thin films with oxygen vacancy and niobium doping

    KAUST Repository

    Sarath Kumar, S. R.


    We report the evolution of high temperature thermoelectric properties of SrTiO3 thin films doped with Nb and oxygen vacancies. Structure-property relations in this important thermoelectric oxide are elucidated and the variation of transport properties with dopant concentrations is discussed. Oxygen vacancies are incorporated during growth or annealing in Ar/H2 above 800 K. An increase in lattice constant due to the inclusion of Nb and oxygen vacancies is found to result in an increase in carrier density and electrical conductivity with simultaneous decrease in carrier effective mass and Seebeck coefficient. The lattice thermal conductivity at 300 K is found to be 2.22 W m-1 K-1, and the estimated figure of merit is 0.29 at 1000 K. © 2013 American Chemical Society.

  11. Phase transformations upon doping in WO3 (United States)

    Wang, Wennie; Janotti, Anderson; Van de Walle, Chris G.


    High levels of doping in WO3 have been experimentally observed to lead to structural transformation towards higher symmetry phases. We explore the structural phase diagram with charge doping through first-principles methods based on hybrid density functional theory, as a function of doping the room-temperature monoclinic phase transitions to the orthorhombic, tetragonal, and finally cubic phase. Based on a decomposition of energies into electronic and strain contributions, we attribute the transformation to a gain in energy resulting from a lowering of the conduction band on an absolute energy scale.

  12. Purely cubic action for string field theory (United States)

    Horowitz, G. T.; Lykken, J.; Rohm, R.; Strominger, A.


    It is shown that Witten's (1986) open-bosonic-string field-theory action and a closed-string analog can be written as a purely cubic interaction term. The conventional form of the action arises by expansion around particular solutions of the classical equations of motion. The explicit background dependence of the conventional action via the Becchi-Rouet-Stora-Tyutin operator is eliminated in the cubic formulation. A closed-form expression is found for the full nonlinear gauge-transformation law.

  13. An origin behind Rashba spin splitting within inverted doped sGe heterostructures (United States)

    Hassan, A. H. A.; Morris, R. J. H.; Mironov, O. A.; Gabani, S.; Dobbie, A.; Leadley, D. R.


    In this paper, we demonstrate why cubic Rashba spin splitting is observed within inverted doped strained germanium (sGe) hetrostructures. Magnetotransport measurements showed beating within the SdH oscillation, with fast Fourier analysis revealing cubic Rashba spin splitting to be present. A cubic Rashba coefficient of β=7.97 ×10-29 eVm3 and a spin-splitting energy of Δ=1.17 meV were determined. The source of the cubic Rashba spin splitting was identified from a combination of ultra low energy secondary ion mass spectrometry analysis and subsequent band structure modelling using Nextnano3. Ultra-low energy secondary ion mass spectrometry revealed an unintentional, highly B doped near surface region accounted for structure inversion asymmetry, whereas subsequent band structure modelling using Nextnano3 demonstrates how this asymmetric B doping generates structural inversion asymmetry within the sGe QW structure and cubic Rashba spin splitting realized.

  14. The Exact Limit of Some Cubic Towers

    DEFF Research Database (Denmark)

    Anbar Meidl, Nurdagül; Beelen, Peter; Nguyen, Nhut


    Recently, a new explicit tower of function fields was introduced by Bassa, Beelen, Garcia and Stichtenoth (BBGS). This resulted in currently the best known lower bound for Ihara’s constant in the case of non-prime finite fields. In particular over cubic fields, the tower’s limit is at least as good...

  15. A look through 'lens' cubic mitochondria. (United States)

    Almsherqi, Zakaria; Margadant, Felix; Deng, Yuru


    Cell membranes may fold up into three-dimensional nanoperiodic cubic structures in biological systems. Similar geometries are well studied in other disciplines such as mathematics, physics and polymer chemistry. The fundamental function of cubic membranes in biological systems has not been uncovered yet; however, their appearance in specialized cell types indicates a role as structural templates or perhaps direct physical entities with specialized biophysical properties. The mitochondria located at the inner segment of the retinal cones of tree shrew (Tupaia glis and Tupaia belangeri) contain unique patterns of concentric cristae with a highly ordered membrane arrangement in three dimensions similar to the photonic nanostructures observed in butterfly wing scales. Using a direct template matching method, we show that the inner mitochondrial membrane folds into multi-layered (8 to 12 layers) gyroid cubic membrane arrangements in the photoreceptor cells. Three-dimensional simulation data demonstrate that such multi-layer gyroid membrane arrangements in the retinal cones of a tree shrew's eye can potentially function as: (i) multi-focal lens; (ii) angle-independent interference filters to block UV light; and (iii) a waveguide photonic crystal. These theoretical results highlight for the first time the significance of multi-layer cubic membrane arrangements to achieve near-quasi-photonic crystal properties through the simple and reversible biological process of continuous membrane folding.

  16. A monotonicity conjecture for real cubic maps

    Energy Technology Data Exchange (ETDEWEB)

    Dawson, S.P. [Los Alamos National Lab., NM (United States); Galeeva, R. [Northwestern Univ., Evanston, IL (United States); Milnor, J. [State Univ. of New York, Stony Brook, NY (United States); Tresser, C. [International Business Machines Corp., Yorktown Heights, NY (United States)


    This will be an outline of work in progress. We study the conjecture that the topological entropy of a real cubic map depends ``monotonely`` on its parameters, in the sense that each locus of constant entropy in parameter space is a connected set. This material will be presented in more detail in a later paper.

  17. Cubical version of combinatorial differential forms

    DEFF Research Database (Denmark)

    Kock, Anders


    The theory of combinatorial differential forms is usually presented in simplicial terms. We present here a cubical version; it depends on the possibility of forming affine combinations of mutual neighbour points in a manifold, in the context of synthetic differential geometry....

  18. Analysis of cubic and orthorhombic C3A hydration in presence of gypsum and lime

    KAUST Repository

    Kirchheim, A. P.


    Field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD) have been used to study the microstructural changes and phase development that take place during the hydration of cubic (pure) and orthorhombic (Na-doped) tricalcium aluminate (C3A) and gypsum in the absence and presence of lime. The results demonstrate that important differences occur in the hydration of each C3A polymorph and gypsum when no lime is added; orthorhombic C3A reacts faster with gypsum than the cubic phase, forming longer ettringite needles; however, the presence of lime slows down the formation of ettringite in the orthorhombic sample. Additional rheometric tests showed the possible effects on the setting time in these cementitious mixes.

  19. Electronic levels of cubic quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Aristone, Flavio [Federal De Mato Grosso Do Sul Univ., Campo Grande (Brazil); Sanchez-Dehesa, Jose [Autonoma De Madrid Univ., Madrid (Spain); Marques, Gilmar E. [Federal De Sao Carlos Univ., Sao Carlos (Brazil)


    We introduce an efficient variational method to solve the three-dimensional Schroedinger equation for any arbitrary potential V(x,y,z). The method uses a basis set of localized functions which are build up as products of one-dimensional cubic {beta}-splines. We calculated the energy levels of GaAs/AlGaAs cubic quantum dots and make a comparison with the results from two well-known simplification schemes based on a decomposition of the full potential problem into three separate one-dimensional problems. We show that the scheme making a sequential decomposition gives eigenvalues in better agreement with the ones obtained variationally, but an exact solution is necessary when looking for highly precise values.

  20. Linearizability conditions of quasi-cubic systems

    Directory of Open Access Journals (Sweden)

    Wentao Huang


    Full Text Available In this paper we study the linearizability problem of the two-dimensional complex quasi-cubic system $\\dot{z}=z+(zw^{d}(a_{30}z^{3}+a_{21}z^{2}w+a_{12}zw^2+a_{03}w^{3},~\\dot{w}=-w-(zw^{d}(b_{30}w^{3}+b_{21}w^{2}z+b_{12}wz^2+b_{03}z^{3}$, where $z, w, a_{ij}, b_{ij}\\in \\mathbb{C}$ and $d$ is a real number. We find a transformation to change the quasi-cubic system into an equivalent quintic system and then obtain the necessary and sufficient linearizability conditions by the Darboux linearization method or by proving the existence of linearizing transformations.

  1. Cubic Phase Formation in Phospholipid and PEG-Lipid Mixtures (United States)

    Murley, Kimberly; Cunningham, Beth; Wolfe, David; Williams, Patrick


    Lipid systems modeling cell membranes are capable of self-assembling into various liquid crystal mesophases with varying geometry and dimensions. We have suggested that it is possible to engineer the lipid systems through the incorporation of covalently attached polymer lipids to produce unique effects. The results of this engineering process include both the stabilization of lipid phases that normally exist over very limited temperature ranges and the induction of novel phases that are not normally present in the parent lipid. In this study, we used x-ray diffraction and NMR to investigate the phase behavior of the DOPE:PEG:MO and MO:PEG:D2O systems with varying molar ratios and PEG sizes. The phase diagram which we have generated indicates the conditions necessary to induce specific phase structures and sizes into three-dimensional cubic lipid systems. This information may be useful to create nanostructures which will be valuable in applications such as protein crystallization and protein biochip development.

  2. Neutrosophic Cubic MCGDM Method Based on Similarity Measure

    Directory of Open Access Journals (Sweden)

    Surapati Pramanik


    Full Text Available The notion of neutrosophic cubic set is originated from the hybridization of the concept of neutrosophic set and interval valued neutrosophic set. We define similarity measure for neutrosophic cubic sets and prove some of its basic properties.

  3. Spherical model provides visual aid for cubic crystal study (United States)

    Bacigalupi, R. J.; Spakowski, A. E.


    Transparent sphere of polymethylmethacrylate with major zones and poles of cubic crystals is used to make crystallographic visualizations and to interpret Laue X ray diffraction of single cubic crystals.

  4. Realization of single terminated surface of perovskite oxide single crystals and their band profile: (LaAlO3)0.3(Sr2AlTaO6)0.7, SrTiO3 and KTaO3 case study (United States)

    Tomar, Ruchi; Wadehra, Neha; Budhiraja, Vaishali; Prakash, Bhanu; Chakraverty, S.


    To characterize the physical properties of thin films without ambiguity and design interface with new functionalities, it is essential to have detailed knowledge of physical properties and appropriate estimation of the band profile of perovskite oxide substrates. We have developed and demonstrated a chemical free unified framework to realize single terminated surface of KTaO3, (LaAlO3)0.3 (Sr2AlTaO6)0.7 and SrTiO3 (001) oriented single crystals. The electronic band line-up of these single crystal substrates, using a combination of optical spectroscopy and Kelvin Probe Force Microscopy, has been constructed. A polar-polar interface of KTaO3 and LaBO3 (B-Transition metal ion) before and after the possible surface/electronic reconstruction has also been schematically presented.

  5. Effects of background oxygen pressure on dielectric and ferroelectric properties of epitaxial (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.10,Sb0.06)O3 thin films on SrTiO3 (United States)

    Abazari, M.; Akdoǧan, E. K.; Safari, A.


    Oxygen partial pressure (PO_2) in pulsed laser deposition significantly influences the composition, microstructure, and electrical properties of epitaxial misfit strain-relieved 450nm ⟨001⟩ oriented epitaxial (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.10,Sb0.06)O3 thin films on SrRuO3 coated SrTiO3. Films deposited at 400mTorr exhibit high remnant and saturated polarization of 7.5 and 16.5μC /cm2, respectively, which is ˜100% increase over the ones grown at 100mTorr. The dielectric constant linearly increases from 220 to 450 with increasing PO2. The observed changes in surface morphology of the films and their properties are shown to be due to the suppression of volatile A-site cation loss.

  6. Metal-Mott insulator transition of SrMnO3 by fluorine doping (United States)

    Ramwala, Mohini; Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh


    We have studied the electronic band structure based metallic properties of a pure cubic SrMnO3 and fluorine doped cubic SrMnO3 peroskite crystal structure which has mott-insulating properties. We also found the stable cubic structure using Generalised Gradient Approximation (GGA) in Perder-Burke-Ernzerhof (PBE) through First-principles calculation. The bond structure of pure SrMnO3 signifies its metallic behavior and that of fluorine doped SrMnO3 show mottness. These materials are of great importance in microelectronics and telecommunication.

  7. Airplane dopes and doping (United States)

    Smith, W H


    Cellulose acetate and cellulose nitrate are the important constituents of airplane dopes in use at the present time, but planes were treated with other materials in the experimental stages of flying. The above compounds belong to the class of colloids and are of value because they produce a shrinking action on the fabric when drying out of solution, rendering it drum tight. Other colloids possessing the same property have been proposed and tried. In the first stages of the development of dope, however, shrinkage was not considered. The fabric was treated merely to render it waterproof. The first airplanes constructed were covered with cotton fabric stretched as tightly as possible over the winds, fuselage, etc., and flying was possible only in fine weather. The necessity of an airplane which would fly under all weather conditions at once became apparent. Then followed experiments with rubberized fabrics, fabrics treated with glue rendered insoluble by formaldehyde or bichromate, fabrics treated with drying and nondrying oils, shellac, casein, etc. It was found that fabrics treated as above lost their tension in damp weather, and the oil from the motor penetrated the proofing material and weakened the fabric. For the most part the film of material lacked durability. Cellulose nitrate lacquers, however were found to be more satisfactory under varying weather conditions, added less weight to the planes, and were easily applied. On the other hand, they were highly inflammable, and oil from the motor penetrated the film of cellulose nitrate, causing the tension of the fabric to be relaxed.

  8. Microestrutura e condutividade elétrica do eletrólito sólido de céria-20% mol gadolínia com adições de SrO, TiO2 e SrTiO3

    Directory of Open Access Journals (Sweden)

    M. C. F. Dias


    Full Text Available Os efeitos da adição de SrO, TiO2 e SrTiO3 na sinterização, na microestrutura e na condutividade elétrica do eletrólito sólido céria-gadolínia foram sistematicamente investigados. Foram preparadas pelo método convencional de mistura dos reagentes de partida seguida de reação em estado sólido composições contendo 1, 2,5 e 5% mol dos aditivos. Diversas técnicas de caracterização foram utilizadas. Os resultados mostraram que os aditivos exercem influência em todas as propriedades estudadas, mas de forma diferente dependendo do tipo e do teor. De forma geral, o SrO tornou desprezível o bloqueio aos portadores de carga nos contornos de grão, mas prejudicou a densificação. O TiO2 promoveu aumento substancial na densificação da céria-gadolínia, mas também no bloqueio exercido pelos contornos de grão, além de ser responsável pela exsolução do gadolínio e pela formação da fase pirocloro Gd2­Ti2O7, quando adicionado em teores acima do limite de solubilidade. O SrTiO3 não produziu alterações significativas na densificação, e resultou em aumento da condutividade intergranular pela diminuição da energia de ativação para o processo de condução.

  9. Characterization of Chemical Trends in Magnetically Doped, Electrically Gated Topological Insulator Thin Films (United States)

    Richardella, Anthony; Kandala, Abhinav; Lee, Joon Sue; Fraleigh, Robbie; Samarth, Nitin; Liu, Minhao; Ong, Nai Phuan; Tao, Jing


    Interfacing topological insulators (TIs) with magnetism breaks time reversal symmetry and opens a gap in the surface states at the Dirac point. This results in novel phenomena, such as the recently reported quantized conductance at zero applied external magnetic field due to the quantum anomalous Hall effect (QAHE) in Cr doped (BixSb1-x)2 Te3 [C-Z. Chang, et al., Science 340, 167 (2013)]. We have studied magnetically doped (BixSb1-x)2 Te3 thin films grown by MBE on SrTiO3(111) (STO) substrates using Cr, Fe and Mn as magnetic dopants and as a function of the Bi and Sb composition. These films are carefully characterized by XRD, AFM, SQUID magnetometry and TEM. The chemical composition is determined using SIMS, RBS and XRF. Low temperature transport shows a large gate-tunable Hall effect in Cr doped samples and systematically varying longitudinal magneto-conductance as the Fermi energy is tuned through the Dirac point. The origin of ferromagnetism and its dependence on the chemical potential, chemical composition and sample thickness is discussed. Funded by DARPA and ARO-MURI.

  10. Visible light carrier generation in co-doped epitaxial titanate films

    Energy Technology Data Exchange (ETDEWEB)

    Comes, Ryan B.; Smolin, Sergey Y.; Kaspar, Tiffany C.; Gao, Ran; Apgar, Brent A.; Martin, Lane W.; Bowden, Mark E.; Baxter, Jason; Chambers, Scott A.


    Perovskite titanates such as SrTiO3 (STO) exhibit a wide range of important functional properties, including high electron mobility, ferroelectricity—which may be valuable in photovoltaic applications—and excellent photocatalytic performance. The wide optical band gap of titanates limits their use in these applications, however, making them ill-suited for integration into solar energy harvesting technologies. Our recent work has shown that by doping STO with equal concentrations of La and Cr we can enhance visible light absorption in epitaxial thin films while avoiding any compensating defects. In this work, we explore the optical properties of photoexcited carriers in these films. Using spectroscopic ellipsometry, we show that the Cr3+ dopants, which produce electronic states immediately above the top of the O 2p valence band in STO reduce the direct band gap of the material from 3.75 eV to between 2.4 and 2.7 eV depending on doping levels. Transient reflectance measurements confirm that optically generated carriers have a recombination lifetime comparable to that of STO and are in agreement with the observations from ellipsometry. Finally, through photoelectrochemical yield measurements, we show that these co-doped films exhibit enhanced visible light photocatalysis when compared to pure STO.

  11. Superconductivity in heavily boron-doped silicon carbide

    Directory of Open Access Journals (Sweden)

    Markus Kriener, Takahiro Muranaka, Junya Kato, Zhi-An Ren, Jun Akimitsu and Yoshiteru Maeno


    Full Text Available The discoveries of superconductivity in heavily boron-doped diamond in 2004 and silicon in 2006 have renewed the interest in the superconducting state of semiconductors. Charge-carrier doping of wide-gap semiconductors leads to a metallic phase from which upon further doping superconductivity can emerge. Recently, we discovered superconductivity in a closely related system: heavily boron-doped silicon carbide. The sample used for that study consisted of cubic and hexagonal SiC phase fractions and hence this led to the question which of them participated in the superconductivity. Here we studied a hexagonal SiC sample, free from cubic SiC phase by means of x-ray diffraction, resistivity, and ac susceptibility.

  12. Preparation of Sm doped cerium dioxide film by anodization (United States)

    LIU, Xiaozhen; Yang, Junhua; Liu, Xiaozhou; Xia, Letian; Chen, Jie; Zhu, Ying


    The Sm doped cerium dioxide films were prepared with cerium foils as raw materials by anodization in Sm(NO3)3-Na2C2O4-NH3·H2O-H2O-(CH2OH)2 electrolyte. The anodic Sm doped cerium oxide film was heat treated at 550°C. The Sm doped cerium dioxide films were characterized with X-ray diffraction (XRD), energy-dispersive analyses of X-ray (EDAX), Fourier transform infrared (FTIR) techniques and scanning electron microcopy (SEM), respectively. The anodic Sm doped cerium oxide film is semi crystalline film. The heat treated anodic Sm doped cerium oxide film at 550°C has a structure of cubic fluorite. The doping of Sm is replacement doping or caulking doping. The Sm doped cerium dioxide film is porous film. The water, ethylene glycol and CO2 are adsorbed in the anodic Sm doped cerium oxide film. The adsorbing water, ethylene glycol and CO2 in the anodic Sm doped cerium oxide film are removed at 550°C. The Sm doped cerium dioxide film has strong absorption in the range of 1200 ~ 4000cm-1.

  13. Doped Nanocrystals

    National Research Council Canada - National Science Library

    David J. Norris; Alexander L. Efros; Steven C. Erwin


    The critical role that dopants play in semiconductor devices has stimulated research on the properties and the potential applications of semiconductor nanocrystals, or colloidal quantum dots, doped...

  14. The special symplectic structure of binary cubics


    Slupinski, Marcus J.; Stanton, Robert


    Let $k$ be a field of characteristic not $2$ or $3$. Let $V$ be the $k$-space of binary cubic polynomials. The natural symplectic structure on $k^2$ promotes to a symplectic structure $\\omega$ on $V$ and from the natural symplectic action of $\\textrm{Sl}(2,k)$ one obtains the symplectic module $(V,\\omega)$. We give a complete analysis of this symplectic module from the point of view of the associated moment map, its norm square $Q$ (essentially the classical discriminant) and the symplectic g...

  15. Dielectric properties of perovskites with polar disorder (K1-xLix TaO3 and Pb[Mg1/3Nb2/3]O3) and of SrTiO3 films


    Christen, Hans-Martin


    Dielectric properties of perovskites are studied both to gain insight into fundamental aspects of the freezing of polar disorder, and to investigate their technological potential. The dynamics of freezing of polar disorder is investigated in single crystals of Li-doped potassium tantalate (K1-xLixTaO3) and lead magnesium niobate (pb[Mg1/3Nb2/3]O3). For the mixed crystal K1-xLixTaO3, the dielectric permittivity ε (ω) is measured at various temperatures and for frequencies ω/2π ranging from 2 ×...

  16. Dielectric properties of perovskites with polar disorder (K1-xLix TaO3 and Pb[Mg1/3Nb2/3]O3) and of SrTiO3 films


    Christen, Hans-Martin; Châtelain, André


    Dielectric properties of perovskites are studied both to gain insight into fundamental aspects of the freezing of polar disorder, and to investigate their technological potential. The dynamics of freezing of polar disorder is investigated in single crystals of Li-doped potassium tantalate (K1-xLixTaO3) and lead magnesium niobate (pb[Mg1/3Nb2/3]O3). For the mixed crystal K1-xLixTaO3, the dielectric permittivity ε (ω) is measured at various temperatures and for frequencies ω/2π ranging from 2 ×...

  17. Disentangling specific versus generic doping mechanisms in oxide heterointerfaces (United States)

    Gabel, J.; Zapf, M.; Scheiderer, P.; Schütz, P.; Dudy, L.; Stübinger, M.; Schlueter, C.; Lee, T.-L.; Sing, M.; Claessen, R.


    More than a decade after the discovery of the two-dimensional electron system (2DES) at the interface between the band insulators LaAlO3 (LAO) and SrTiO3 (STO) its microscopic origin is still under debate. Several explanations have been proposed, the main contenders being electron doping by oxygen vacancies and electronic reconstruction, i.e., the redistribution of electrons to the interface to minimize the electrostatic energy in the polar LAO film. However, no experiment thus far could provide unambiguous information on the microscopic origin of the interfacial charge carriers. Here we utilize a novel experimental approach combining photoelectron spectroscopy (PES) with highly brilliant synchrotron radiation and apply it to a set of samples with varying key parameters that are thought to be crucial for the emergence of interfacial conductivity. Based on microscopic insight into the electronic structure, we obtain results tipping the scales in favor of polar discontinuity as a generic, robust driving force for the 2DES formation. Likewise, other functionalities such as magnetism or superconductivity might be switched in all-oxide devices by polarity-driven charge transfer.

  18. Magnetoelastic oscillations in ferromagnets with cubic symmetry (United States)

    Baryakhtar, V. G.; Danilevich, A. G.


    This is a study of the influence of magnetoelastic interactions on the properties of ferromagnets with cubic symmetry. The dispersion relations for coupled magnetoelastic waves are calculated for all the ground states of a ferromagnet with cubic symmetry. It is shown that the magnetoelastic interaction coefficient depends on the directions of the magnetic moment of the ferromagnet and the external magnetic field, as well as on the direction of the wave vector of the collective oscillations. These results are used as the basis for quantitative calculations of the dispersion relations for an NiMnGa alloy with shape memory. The features of the magnetoelastic interaction owing to martensite phase transitions in which one of the elastic moduli becomes anomalously small are discussed. These calculations show that a reduction in the elastic moduli of the crystal causes a substantial increase in the magnetoelastic interaction. It is also shown that the existence of a magnetoelastic interaction leads to a decrease in the experimentally determined elastic moduli.

  19. Structure and thermal stability of nanostructured iron-doped zirconia prepared by high-energy ball milling

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Poulsen, Finn Willy; Mørup, Steen


    Fury stability cubic zirconia doped with iron oxide has been synthesized by high-energy ball milling from powder mixtures of monoclinic zirconia and hematite. It is found that the iron ions dissolved in cubic ZrO2 are in substitutional positions with a maximum solubility of approximately 18.5 mol...

  20. Cubic GaN Formation in Mn/GaN Multilayer Films on 6H-SiC(0001) (United States)

    Cui, Y.; Lazarov, V.; Goetz, M.; Liu, H.; Robertson, D.; Gajdardziska-Josifovska, M.; Li, L.


    Group III nitrides have been extensively studied for their optical properties that are suitable for blue lasers. More recently the magnetic properties of transition metal doped GaN have attracted growing attentions because they may exhibit ferromagnetic order at room temperature. Using molecular beam epitaxy, we have grown GaN films delta-doped with Mn in a single layer, as well as in multiple layers. High-resolution transmission electron microscopy images of the cross section of these films were recorded and analyzed to measure the lattice structures, using digital diffractograms calculated by fast Fourier transform. We found that structure in the pre- and post-doping layers of both types of films match the hexagonal 2H-wurtzite GaN. Interestingly, the cubic zinc blende GaN phase was present in the films with multilayers of Mn delta doping. Both films have edge, mixed, and screw dislocations, as well as stacking faults and inversion domain boundaries, and their densities are drastically reduced within and beyond the doping regions. The implications of this study towards further research on Mn doping GaN will be discussed at the meeting.

  1. Cathodoluminescence of cubic GaN epilayers

    Energy Technology Data Exchange (ETDEWEB)

    Wang, C.; As, D.J.; Schikora, D.; Schoettker, B.; Lischka, K. [Paderborn Univ. (Gesamthochschule) (Germany). Fachbereich 6 - Physik


    Cathodoluminescence (CL) of MBE grown cubic GaN epilayers has been studied as a function of the e-beam excitation intensity. The room temperature CL-spectrum is dominated by a near edge band with a FWHM as narrow as 55 meV at high excitation. It consists of an excitonic and a band-acceptor transition. A broad emission band peaked at 2.4 eV is observed at low excitation. Using a simple model based on bimolecular rate equations the concentration of defects involved in this transition is estimated to be about 10{sup 15} cm{sup -3}. CL-measurements with varying excitation intensity reveal that these recombination levels have only minor influence on the performance of high injection optoelectronic devices like laser diodes. Our CL-measurements show also that the deep centres are homogeneously distributed within the epilayer. (orig.) 11 refs.

  2. Triangulation of cubic panorama for view synthesis. (United States)

    Zhang, Chunxiao; Zhao, Yan; Wu, Falin


    An unstructured triangulation approach, new to our knowledge, is proposed to apply triangular meshes for representing and rendering a scene on a cubic panorama (CP). It sophisticatedly converts a complicated three-dimensional triangulation into a simple three-step triangulation. First, a two-dimensional Delaunay triangulation is individually carried out on each face. Second, an improved polygonal triangulation is implemented in the intermediate regions of each of two faces. Third, a cobweblike triangulation is designed for the remaining intermediate regions after unfolding four faces to the top/bottom face. Since the last two steps well solve the boundary problem arising from cube edges, the triangulation with irregular-distribution feature points is implemented in a CP as a whole. The triangular meshes can be warped from multiple reference CPs onto an arbitrary viewpoint by face-to-face homography transformations. The experiments indicate that the proposed triangulation approach provides a good modeling for the scene with photorealistic rendered CPs.

  3. Cubic nonlinear Schroedinger equation with vorticity

    Energy Technology Data Exchange (ETDEWEB)

    Caliari, M; Morato, L M; Zuccher, S [Dipartimento di Informatica, Universita di Verona, Ca' Vignal 2, Strada Le Grazie 15, 37134 Verona (Italy); Loffredo, M I [Dipartimento di Scienze Matematiche ed Informatiche, Universita di Siena, Pian dei Mantellini 44, 53100 Siena (Italy)], E-mail:, E-mail:, E-mail:, E-mail:


    In this paper, we introduce a new class of nonlinear Schroedinger equations (NLSEs), with an electromagnetic potential (A,{phi}), both depending on the wavefunction {psi}. The scalar potential {phi} depends on |{psi}|{sup 2}, whereas the vector potential A satisfies the equation of magnetohydrodynamics with coefficient depending on {psi}. In Madelung variables, the velocity field comes to be not irrotational in general and we prove that the vorticity induces dissipation, until the dynamical equilibrium is reached. The expression of the rate of dissipation is common to all NLSEs in the class. We show that they are a particular case of the one-particle dynamics out of dynamical equilibrium for a system of N identical interacting Bose particles, as recently described within stochastic quantization by Lagrangian variational principle. The cubic case is discussed in particular. Results of numerical experiments for rotational excitations of the ground state in a finite two-dimensional trap with harmonic potential are reported.

  4. Tuning NaYF4 Nanoparticles through Alkaline Earth Doping

    Directory of Open Access Journals (Sweden)

    Feng Wang


    Full Text Available Phase and size of lanthanide-doped nanoparticles are the most important characteristics that dictate optical properties of these nanoparticles and affect their technological applications. Herein, we present a systematic study to examine the effect of alkaline earth doping on the formation of NaYF4 upconversion nanoparticles. We show that alkaline earth doping has a dual function of tuning particle size of hexagonal phase NaYF4 nanoparticles and stabilizing cubic phase NaYF4 nanoparticles depending on composition and concentration of the dopant ions. The study described here represents a facile and general strategy to tuning the properties of NaYF4 upconversion nanoparticles.

  5. Shape preserving rational cubic spline for positive and convex data

    Directory of Open Access Journals (Sweden)

    Malik Zawwar Hussain


    Full Text Available In this paper, the problem of shape preserving C2 rational cubic spline has been proposed. The shapes of the positive and convex data are under discussion of the proposed spline solutions. A C2 rational cubic function with two families of free parameters has been introduced to attain the C2 positive curves from positive data and C2 convex curves from convex data. Simple data dependent constraints are derived on free parameters in the description of rational cubic function to obtain the desired shape of the data. The rational cubic schemes have unique representations.

  6. Solving Buckmaster equation using cubic B-spline and cubic trigonometric B-spline collocation methods (United States)

    Chanthrasuwan, Maveeka; Asri, Nur Asreenawaty Mohd; Hamid, Nur Nadiah Abd; Majid, Ahmad Abd.; Azmi, Amirah


    The cubic B-spline and cubic trigonometric B-spline functions are used to set up the collocation in finding solutions for the Buckmaster equation. These splines are applied as interpolating functions in the spatial dimension while the finite difference method (FDM) is used to discretize the time derivative. The Buckmaster equation is linearized using Taylor's expansion and solved using two schemes, namely Crank-Nicolson and fully implicit. The von Neumann stability analysis is carried out on the two schemes and they are shown to be conditionally stable. In order to demonstrate the capability of the schemes, some problems are solved and compared with analytical and FDM solutions. The proposed methods are found to generate more accurate results than the FDM.

  7. Doping droops. (United States)

    Chaturvedi, Aditi; Chaturvedi, Harish; Kalra, Juhi; Kalra, Sudhanshu


    Drug abuse is a major concern in the athletic world. The misconception among athletes and their coaches is that when an athlete breaks a record it is due to some "magic ingredient" and not because of training, hard work, mental attitude and championship performance. The personal motivation to win in competitive sports has been intensified by national, political, professional and economic incentives. Under this increased pressure athletes have turned to finding this "magic ingredient". Athlete turns to mechanical (exercise, massage), nutritional (vitamins, minerals), pharmacological (medicines) or gene therapies to have an edge over other players. The World Anti-Doping Agency (WADA) has already asked scientists to help find ways to prevent gene therapy from becoming the newest form of doping. The safety of the life of athletes is compromised with all forms of doping techniques, be it a side effect of a drug or a new technique of gene doping.

  8. Structural properties of pure and Fe-doped Yb films prepared by vapor condensation

    Energy Technology Data Exchange (ETDEWEB)

    Rojas-Ayala, C., E-mail: [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil); Facultad de Ciencias Físicas, Universidad Nacional Mayor de San Marcos, Lima, P.O.B. 14-149, Lima 14 (Peru); Passamani, E.C. [Departamento de Física, Universidade Federal do Espírito Santo, Vitória 29075-910, ES (Brazil); Suguihiro, N.M. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil); Litterst, F.J. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil); Institut für Physik der Kondensierten Materie, Technische Universität Braunschweig, 38106 Braunschweig (Germany); Baggio Saitovitch, E. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro 22290-180, RJ (Brazil)


    Ytterbium and iron-doped ytterbium films were prepared by vapor quenching on Kapton substrates at room temperature. Structural characterization was performed by X-ray diffraction and transmission electron microscopy. The aim was to study the microstructure of pure and iron-doped films and thereby to understand the effects induced by iron incorporation. A coexistence of face centered cubic and hexagonal close packed-like structures was observed, the cubic-type structure being the dominant contribution. There is an apparent thickness dependence of the cubic/hexagonal relative ratios in the case of pure ytterbium. Iron-clusters induce a crystalline texture effect, but do not influence the cubic/hexagonal volume fraction. A schematic model is proposed for the microstructure of un-doped and iron-doped films including the cubic- and hexagonal-like structures, as well as the iron distribution in the ytterbium matrix. - Highlights: • Pure and Fe-doped Yb films have been prepared by vapor condensation. • Coexistence of fcc- and hcp-type structures was observed. • No oxide phases have been detected. • Fe-clustering does not affect the fcc/hcp ratio, but favors a crystalline texture. • A schematic model is proposed to describe microscopically the microstructure.

  9. Phase Transformation and Lattice Parameter Changes of Non-trivalent Rare Earth-Doped YSZ as a Function of Temperature (United States)

    Jiang, Shengli; Huang, Xiao; He, Zhang; Buyers, Andrew


    To examine the effect of doping/co-doping on high-temperature phase compositions of YSZ, stand-alone YSZ and CeO2 and Nb2O5 co-doped YSZ samples were prepared using mechanical alloy and high-temperature sintering. XRD analysis was performed on these samples from room temperature to 1100 °C. The results show that the structure for the co-doped samples tends to be thermally stable when the test temperature is higher than a critical value. Monoclinic phase was dominant in Nb2O5 co-doped YSZ at temperatures lower than 600 °C, while for the YSZ and CeO2 co-doped YSZ, cubic/tetragonal phase was dominant in the whole test temperature range. The lattice parameters for all the samples increase with increasing test temperature generally. The lattice parameters for the two non-trivalent rare earth oxides co-doped YSZ show that the lattice parameter a for the cubic phase of the Ce4+ co-doped YSZ is consistently greater than that of 7YSZ which is related to the presence of larger radius of Ce4+ in the matrix. The lattice parameters a, b, c for the monoclinic phase of Ce4+ co-doped YSZ are much closer to each other than that of the Nb5+ co-doped YSZ, indicating the former has better tendency to form cubic/tetragonal phase, which is desired for vast engineering applications.

  10. Topological Oxide Insulator in Cubic Perovskite Structure (United States)

    Jin, Hosub; Rhim, Sonny H.; Im, Jino; Freeman, Arthur J.


    The emergence of topologically protected conducting states with the chiral spin texture is the most prominent feature at the surface of topological insulators. On the application side, large band gap and high resistivity to distinguish surface from bulk degrees of freedom should be guaranteed for the full usage of the surface states. Here, we suggest that the oxide cubic perovskite YBiO3, more than just an oxide, defines itself as a new three-dimensional topological insulator exhibiting both a large bulk band gap and a high resistivity. Based on first-principles calculations varying the spin-orbit coupling strength, the non-trivial band topology of YBiO3 is investigated, where the spin-orbit coupling of the Bi 6p orbital plays a crucial role. Taking the exquisite synthesis techniques in oxide electronics into account, YBiO3 can also be used to provide various interface configurations hosting exotic topological phenomena combined with other quantum phases. PMID:23575973

  11. The square of a planar cubic graph is 7-colorable

    DEFF Research Database (Denmark)

    Thomassen, Carsten


    We prove the conjecture made by G. Wegner in 1977 that the square of every planar, cubic graph is 7-colorable. Here, 7 cannot be replaced by 6.......We prove the conjecture made by G. Wegner in 1977 that the square of every planar, cubic graph is 7-colorable. Here, 7 cannot be replaced by 6....

  12. Ultrasonic harmonic generation from materials with up to cubic nonlinearity. (United States)

    Kube, Christopher M; Arguelles, Andrea P


    This letter considers the combined effects of quadratic and cubic nonlinearity on plane wave propagation in generally anisotropic elastic solids. Displacement solutions are derived that represent the fundamental, second-, and third-harmonic waves. In arriving at the solutions, the quadratic and cubic nonlinearity parameters for generally anisotropic materials are defined. The effects of quadratic and cubic nonlinearity are shown to influence the amplitude and phase of the fundamental wave. In addition, the phase of the third-harmonic depends on a simple combination of the quadratic and cubic nonlinearity parameters. Nonlinearity parameters are given explicitly for materials having isotropic and cubic symmetry. Lastly, acoustic nonlinearity surfaces are introduced, which illustrate the nonlinearity parameters as a function of various propagation directions in anisotropic materials.

  13. Effect of fabrication conditions on phase formation and properties of epitaxial (PbMg1/3Nb2/3O30.67-(PbTiO30.33 thin films on (001 SrTiO3

    Directory of Open Access Journals (Sweden)

    Muhammad Boota


    Full Text Available The pulsed laser deposition process of 300nm thick films of Pb(Mg1/3Nb2/3O30.67-(PbTiO30.33 on (001-oriented SrTiO3 was studied by varying deposition pressure, substrate deposition temperature, laser fluence on the target and target-substrate distance. Perovskite phase pure, (001-oriented, epitaxial smooth films were obtained in a narrow range of deposition parameters. The ferroelectric and dielectric properties of films fabricated within this parameter range still vary significantly. This shows the sensitivity of the system for growth conditions. The best film has a polarization value close to that expected for a (001 poled, stress free single crystal film. All films show deposition conditions dependent variations in the self-bias field. The self-bias is very stable during long cycling for films made at optimum deposition conditions. The piezoelectric coefficients of the films are strongly reduced with respect to bulk single crystal values due to the film clamping. The properties variations are ascribed to changes in the grain boundary properties in which film defects are expected to accumulate. Notably slight off-stoichiometry may cause localized screening charges, affecting specifically the polarization and dielectric constant.

  14. Effect of fabrication conditions on phase formation and properties of epitaxial (PbMg1/3Nb2/3O3)0.67-(PbTiO3)0.33 thin films on (001) SrTiO3 (United States)

    Boota, Muhammad; Houwman, Evert P.; Nguyen, Minh D.; Lanzara, Giulia; Rijnders, Guus


    The pulsed laser deposition process of 300nm thick films of Pb(Mg1/3Nb2/3)O3)0.67-(PbTiO3)0.33 on (001)-oriented SrTiO3 was studied by varying deposition pressure, substrate deposition temperature, laser fluence on the target and target-substrate distance. Perovskite phase pure, (001)-oriented, epitaxial smooth films were obtained in a narrow range of deposition parameters. The ferroelectric and dielectric properties of films fabricated within this parameter range still vary significantly. This shows the sensitivity of the system for growth conditions. The best film has a polarization value close to that expected for a (001) poled, stress free single crystal film. All films show deposition conditions dependent variations in the self-bias field. The self-bias is very stable during long cycling for films made at optimum deposition conditions. The piezoelectric coefficients of the films are strongly reduced with respect to bulk single crystal values due to the film clamping. The properties variations are ascribed to changes in the grain boundary properties in which film defects are expected to accumulate. Notably slight off-stoichiometry may cause localized screening charges, affecting specifically the polarization and dielectric constant.

  15. Polyimide nanocomposites based on cubic zirconium tungstate (United States)

    Ramasubramanian Sharma, Gayathri


    In this research, cubic zirconium tungstate (ZrW2O8) was used as a filler to reduce the CTE of polyimides (PI), and the effect of ZrW2O8 nanoparticles on the bulk polymer properties was studied. Polyimides are high performance polymers with exceptional thermal stability, and there is a need for PIs with low CTEs for high temperature applications. The nanofiller, cubic ZrW2O8, is well known for its isotropic negative thermal expansion (NTE) over a wide temperature range from -272.7 to 777°C. The preparation of nanocomposites involved the synthesis of ZrW 2O8 nanofiller, engineering the polymer-filler interface using linker groups and optimization of processing strategies to prepare free-standing PI nanocomposite films. A hydrothermal method was used to synthesize ZrW 2O8 nanoparticles. Polyimide-ZrW2O8 interface interaction was enhanced by covalently bonding linker moieties to the surface of ZrW2O8 nanoparticles. Specifically, ZrW 2O8 nanoparticles were functionalized with two different linker groups: (1) a short aliphatic silane, and (2) low molecular weight PI. The surface functionalization was confirmed using X-ray photoelectron spectroscopy and thermal gravimetric analysis (TGA). Reprecipitation blending was used to prepare the freestanding PI-ZrW2O8 nanocomposite films with up to 15 volume% filler loading. SEM images showed the improvements in polymer-filler wetting behavior achieved using interface engineering. SEM images indicated that there was better filler dispersion in the PI matrix using reprecipitation blending, compared to the filler dispersion achieved in the nanocomposites prepared using conventional blending technique. The structure-property relationships in PI-ZrW2O8 nanocomposites were investigated by studying the thermal degradation, glass transition, tensile and thermal expansion properties of the nanocomposites. The properties were studied as a function of filler loading and interface linker groups. Addition of ZrW2O8 nanoparticles did not

  16. Raman study of collective plasmon-longitudinal optical phonon excitations in cubic GaN and AlxGa1-xN epitaxial layers (United States)

    Pusep, Yu. A.; Silva, M. T. O.; Fernandez, J. R. L.; Chitta, V. A.; Leite, J. R.; Frey, T.; As, D. J.; Schikora, D.; Lischka, K.


    The plasmon-longitudinal optical (LO) phonon collective excitations were studied by Raman scattering in cubic GaN doped with Si and in intrinsically doped cubic AlxGa1-xN alloys. The specific asymmetry of the corresponding Raman lines, associated with the dispersion of the coupled excitations was clearly detected in GaN. The spatial coherence of the relevant coupled oscillations was determined from the comparison of the experimental Raman spectra with the calculated ones. A broad line, which was previously attributed to the overdamped plasmon-LO phonon oscillations, was also observed in the GaN and AlxGa1-xN samples in the range between the transversal optical and LO phonon frequencies.

  17. Molecular beam epitaxy of cubic III-nitrides on GaAs substrates

    Energy Technology Data Exchange (ETDEWEB)

    As, D.J.; Schikora, D.; Lischka, K. [Dept. of Physics, Univ. of Paderborn, Paderborn (Germany)


    Molecular beam epitaxy has successfully been used to grow crystalline layers of group III-nitrides (GaN, AlN and InN) with cubic (zinc-blende) structure on GaAs substrates. In this article, we discuss these efforts that, despite inherent difficulties due to the metastability of the c-III nitrides, led to substantial improvements of the structural, electrical and optical quality of these wide gap semiconductors. We review experimental work concerned with the epitaxy of c-GaN and the control of the growth process in-situ, the important issue of p- and n-type doping of c-GaN and investigations of the structural and optical properties of c-InGaN and c-AlGaN. (orig.)

  18. Excitonic transitions in MBE grown h-GaN with cubic inclusions (United States)

    Strauf, Stefan; Michler, Peter; Gutowski, Jürgen; Selke, Hartmut; Birkle, Udo; Einfeldt, Sven; Hommel, Detlef


    Undoped and magnesium doped MBE grown GaN epilayers on sapphire substrates show a particular variety of near-bandgap luminescent transitions. Despite the large lattice mismatch to the substrate, pronounced free- and bound-exciton transitions allow for an estimation of the excitonic binding energies. For the given thickness range (about 1 μm), we find an almost strain-relaxed situation with the main exciton transition energies well corresponding to the bulk values. On their low-energy side, we identify lines having been tentatively assigned to stacking fault excitons, and interface-related exciton transitions correlated to extended defects and/or dislocations in this spatial region. Evidence of cubic inclusions of a size up to 500 nm is doubtless given by observing sharp c-GaN related donor-bound exciton emission and respective structures in transmission electron microscope investigations.

  19. The compressibility of cubic white and orthorhombic, rhombohedral, and simple cubic black phosphorus

    Energy Technology Data Exchange (ETDEWEB)

    Clark, Simon M; Zaug, Joseph


    The effect of pressure on the crystal structure of white phosphorus has been studied up to 22.4 GPa. The ?alpha phase was found to transform into the alpha' phase at 0.87 +- 0.04 GPa with a volume change of 0.1 +- 0.3 cc/mol. A fit of a second order Birch- Murnaghan equation to the data gave Vo = 16.94 ? 0.08 cc/mol and Ko = 6.7 +- 0.5 GPa for the alpha phase and Vo = 16.4 +- 0.1 cc/mol and Ko = 9.1 +- 0.3 GPa for the alpha' phase. The alpha' phase was found to transform to the A17 phase of black phosphorus at 2.68 +- 0.34 GPa and then with increasing pressure to the A7 and then simple cubic phase of black phosphorus. A fit of a second order Birch-Murnaghan equation to our data combined with previous measurements gave Vo = 11.43 +- 0.05 cc/mol and Ko = 34.7 +- 0.5 GPa for the A17 phase, Vo = 9.62 +- 0.01 cc/mol and Ko = 65.0 +- 0.6 GPa for the A7 phase and , Vo = 9.23 +- 0.01 cc/mol and Ko = 72.5 +- 0.3 GPa for the simple cubic phase.

  20. Hardness and thermal stability of cubic silicon nitride

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Kragh, Flemming; Frost, D. J.


    The hardness and thermal stability of cubic spinel silicon nitride (c-Si3N4), synthesized under high-pressure and high-temperature conditions, have been studied by microindentation measurements, and x-ray powder diffraction and scanning electron microscopy, respectively The phase at ambient...... temperature has an average hardness of 35.31 GPa, slightly larger than SiO2 stishovite, which is often referred to as the third hardest material after diamond and cubic boron nitride. The cubic phase is stable up to 1673 K in air. At 1873 K, alpha -and beta -Si3N4 phases are observed, indicating a phase...

  1. On q-power cycles in cubic graphs

    DEFF Research Database (Denmark)

    Bensmail, Julien


    In the context of a conjecture of Erdos and Gyárfás, we consider, for any q ≥ 2, the existence of q-power cycles (i.e. with length a power of q) in cubic graphs. We exhibit constructions showing that, for every q ≥ 3, there exist arbitrarily large cubic graphs with no q-power cycles. Concerning...... the remaining case q = 2 (which corresponds to the conjecture of Erdos and Gyárfás), we show that there exist arbitrarily large cubic graphs whose only 2-power cycles have length 4 only, or 8 only....

  2. On q-Power Cycles in Cubic Graphs


    Bensmail Julien


    International audience; In the context of a conjecture of Erdős and Gyárfás, we consider, for any $q ≥ 2$, the existence of q-power cycles (i.e. with length a power of q) in cubic graphs. We exhibit constructions showing that, for every $q ≥ 3$, there exist arbitrarily large cubic graphs with no q-power cycles. Concerning the remaining case $q = 2$ (which corresponds to the conjecture of Erdős and Gyárfás), we show that there exist arbitrarily large cubic graphs whose only 2-power cycles have...

  3. Hydrothermal Synthesis and Tunable Multicolor Upconversion Emission of Cubic Phase Y2O3 Nanoparticles

    Directory of Open Access Journals (Sweden)

    Haibo Wang


    Full Text Available Highly crystalline body-centered cubic structure Y2O3 with lanthanide (Ln codopants (Ln = Yb3+/Er3+ and Yb3+/Ho3+ has been synthesized via a moderate hydrothermal method in combination with a subsequent calcination. The structure and morphology of Y(OH3 precursors and Y2O3 nanoparticles were characterized by X-ray diffraction and transmission electron microscopy. The results reveal that the Y2O3 nanoparticles possess cubic phase and form the quasispherical structure. The upconversion luminescence properties of Y2O3 nanoparticles doped with different Ln3+ (Yb3+/ Er3+ and Yb3+/ Ho3+ ions were well investigated under the 980 nm excitation. The results show that the Yb3+/Er3+ and Yb3+/Ho3+ codoped Y2O3 nanoparticles exhibit strong red and light yellow upconversion emissions, respectively. It is expected that these Y2O3 nanoparticles with tunable multicolor output and intense red upconversion emission may have potential application in color displays and biolabels.

  4. Origin and chemical composition of the amorphous material from the intergrain pores of self-assembled cubic ZnS:Mn nanocrystals (United States)

    Stefan, Mariana; Vlaicu, Ioana Dorina; Nistor, Leona Cristina; Ghica, Daniela; Nistor, Sergiu Vasile


    We have shown in previous investigations that the low temperature collective magnetism observed in mesoporous cubic ZnS:Mn nanocrystalline powders prepared by colloidal synthesis, with nominal doping concentrations above 0.2 at.%, is due to the formation of Mn2+ clusters with distributed antiferromagnetic coupling localized in an amorphous phase found between the cubic ZnS:Mn nanocrystals. Here we investigate the composition, origin and thermal annealing behavior of this amorphous phase in such a mesoporous ZnS:Mn sample doped with 5 at.% Mn nominal concentration. Correlated analytical transmission electron microscopy, multifrequency electron paramagnetic resonance and Fourier transform infrared spectroscopy data show that the amorphous nanomaterial consists of unreacted precursor hydrated zinc and manganese acetates trapped inside the pores and on the surface of the cubic ZnS nanocrystals. The decomposition of the acetates under isochronal annealing up to 270 °C, where the mesoporous structure is still preserved, lead to changes in the nature and strength of the magnetic interactions between the aggregated Mn2+ ions. These results strongly suggest the possibility to modulate the magnetic properties of such transition metal ions doped II-VI mesoporous structures by varying the synthesis conditions and/or by post-synthesis thermochemical treatments.

  5. Monotonicity preserving splines using rational cubic Timmer interpolation (United States)

    Zakaria, Wan Zafira Ezza Wan; Alimin, Nur Safiyah; Ali, Jamaludin Md


    In scientific application and Computer Aided Design (CAD), users usually need to generate a spline passing through a given set of data, which preserves certain shape properties of the data such as positivity, monotonicity or convexity. The required curve has to be a smooth shape-preserving interpolant. In this paper a rational cubic spline in Timmer representation is developed to generate interpolant that preserves monotonicity with visually pleasing curve. To control the shape of the interpolant three parameters are introduced. The shape parameters in the description of the rational cubic interpolant are subjected to monotonicity constrained. The necessary and sufficient conditions of the rational cubic interpolant are derived and visually the proposed rational cubic Timmer interpolant gives very pleasing results.

  6. Bicontinuous cubic liquid crystalline nanoparticles for oral delivery of Doxorubicin

    DEFF Research Database (Denmark)

    Swarnakar, Nitin K; Thanki, Kaushik; Jain, Sanyog


    PURPOSE: The present study explores the potential of bicontinous cubic liquid crystalline nanoparticles (LCNPs) for improving therapeutic potential of doxorubicin. METHODS: Phytantriol based Dox-LCNPs were prepared using hydrotrope method, optimized for various formulation components, process var...

  7. The First Derivative of Ramanujans Cubic Continued Fraction


    Bagis, Nikos


    We give the complete evaluation of the first derivative of the Ramanujans cubic continued fraction using Elliptic functions. The Elliptic functions are easy to handle and give the results in terms of Gamma functions and radicals from tables.

  8. Elastic properties of cubic crystals: Every's versus Blackman's diagram


    Paszkiewicz, T.; Wolski, S.


    Blackman's diagram of two dimensionless ratios of elastic constants is frequently used to correlate elastic properties of cubic crystals with interatomic bondings. Every's diagram of a different set of two dimensionless variables was used by us for classification of various properties of such crystals. We compare these two ways of characterization of elastic properties of cubic materials and consider the description of various groups of materials, e.g. simple metals, oxides, and alkali halide...

  9. Generalized Born--Infeld Actions and Projective Cubic Curves

    CERN Document Server

    Ferrara, S; Sagnotti, A; Stora, R; Yeranyan, A


    We investigate $U(1)^{\\,n}$ supersymmetric Born-Infeld Lagrangians with a second non-linearly realized supersymmetry. The resulting non-linear structure is more complex than the square root present in the standard Born-Infeld action, and nonetheless the quadratic constraints determining these models can be solved exactly in all cases containing three vector multiplets. The corresponding models are classified by cubic holomorphic prepotentials. Their symmetry structures are associated to projective cubic varieties.

  10. On the Rank of Elliptic Curves in Elementary Cubic Extensions

    Directory of Open Access Journals (Sweden)

    Rintaro Kozuma


    Full Text Available We give a method for explicitly constructing an elementary cubic extension L over which an elliptic curve ED:y2+Dy=x3  (D∈Q∗ has Mordell-Weil rank of at least a given positive integer by finding a close connection between a 3-isogeny of ED and a generic polynomial for cyclic cubic extensions. In our method, the extension degree [L:Q] often becomes small.

  11. TOPICAL REVIEW: Nonlinear photonic crystals: III. Cubic nonlinearity (United States)

    Babin, Anatoli; Figotin, Alexander


    Weakly nonlinear interactions between wavepackets in a lossless periodic dielectric medium are studied based on the classical Maxwell equations with a cubic nonlinearity. We consider nonlinear processes such that: (i) the amplitude of the wave component due to the nonlinearity does not exceed the amplitude of its linear component; (ii) the spatial range of a probing wavepacket is much smaller than the dimension of the medium sample, and it is not too small compared with the dimension of the primitive cell. These nonlinear processes are naturally described in terms of the cubic interaction phase function based on the dispersion relations of the underlying linear periodic medium. It turns out that only a few quadruplets of modes have significant nonlinear interactions. They are singled out by a system of selection rules including the group velocity, frequency and phase matching conditions. It turns out that the intrinsic symmetries of the cubic interaction phase stemming from assumed inversion symmetry of the dispersion relations play a significant role in the cubic nonlinear interactions. We also study canonical forms of the cubic interaction phase leading to a complete quantitative classification of all possible significant cubic interactions. The classification is ultimately based on a universal system of indices reflecting the intensity of nonlinear interactions.

  12. Angiogenic Rg1 /Sr-Doped TiO2 Nanowire/Poly(Propylene Fumarate) Bone Cement Composites. (United States)

    Salarian, Mehrnaz; Xu, William Z; Bohay, Richard; Lui, Edmund M K; Charpentier, Paul A


    A new approach is provided for preparing radiopaque and angiogenic poly(propylene fumarate) (PPF) bone cements by integrating Sr-doped n-TiO2 nanowires and ginsenoside Rg1 suitable for treating osteonecrosis. High aspect ratio radiopaque TiO2 -nanowires are synthesized by strontium doping in supercritical CO2 for the first time, showing a new phase, SrTiO3 . PPF is synthesized using a transesterification method by reacting diethyl fumarate and propylene glycol, then functionalized using maleic anhydride to produce terminal carboxyl groups, which are subsequently linked to the nanowires. The strong interfacial adhesion between functionalized PPF and nanowires is examined by scanning electron microscopy, Fourier transform infrared, X-ray photoelectron spectroscopy, thermal analysis, and mechanical testing. An angiogenic modulator, ginsenoside Rg1 , is integrated into the bone cement formulation with the mechanical properties, radiopacity, drug release, and angiogenesis behavior of the formed composites explored. The results show superior radiopacity and excellent release of ginsenoside Rg1 in vitro, as well as a dose-dependent increase in the branching point numbers. The present study suggests this new methodology provides sufficient mechanical properties, radiopacity, and angiogenic activity to be suitable for cementation of necrotic bone. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Structural and optical properties of europium doped zirconia single crystals fibers grown by laser floating zone


    Soares, M.R.N.; Nico, C.; Peres, M.; Ferreira, N.; Fernandes, A.J.S.; Monteiro, T.; COSTA, F.M.


    Yttria stabilized zirconia single crystal fibers doped with europium ions were developed envisaging optical applications. The laser floating zone technique was used in order to grow millimetric high quality single crystal fibers. The as-grown fibers are completely transparent and inclusion free, exhibiting a cubic structure. Under ultraviolet (UV) excitation, a broad emission band appears at 551 nm. The europium doped fibers are translucent with a tetragonal structure and exhibit an intense r...

  14. Thermoelectric properties of n and p-type cubic and tetragonal XTiO3 (X = Ba,Pb): A density functional theory study (United States)

    Rahman, Gul; Rahman, Altaf Ur


    Thermoelectric properties of cubic (C) and tetragonal (T) BaTiO3 (BTO) and PbTiO3 (PTO) are investigated using density functional theory together with semiclassical Boltzmann's transport theory. Both electron and hole doped BTO and PTO are considered in 300-500 K temperature range. We observed that C-BTO has larger power factor(PF) when doped with holes, whereas n-type carrier concentration in C-PTO has larger PF. Comparing both BTO and PTO, C-PTO has larger figure of merit ZT. Tetragonal distortion reduces the Seebeck coefficient S in n-doped PTO, and the electronic structures revealed that such reduction in S is mainly caused by the increase in the optical band gaps (Γ - Γ and Γ-X).

  15. Local optimality of cubic lattices for interaction energies (United States)

    Bétermin, Laurent


    We study the local optimality of simple cubic, body-centred-cubic and face-centred-cubic lattices among Bravais lattices of fixed density for some finite energy per point. Following the work of Ennola (Math Proc Camb 60:855-875, 1964), we prove that these lattices are critical points of all the energies, we write the second derivatives in a simple way and we investigate the local optimality of these lattices for the theta function and the Lennard-Jones-type energies. In particular, we prove the local minimality of the FCC lattice (resp. BCC lattice) for large enough (resp. small enough) values of its scaling parameter and we also prove the fact that the simple cubic lattice is a saddle point of the energy. Furthermore, we prove the local minimality of the FCC and the BCC lattices at high density (with an optimal explicit bound) and its local maximality at low density in the Lennard-Jones-type potential case. We then show the local minimality of FCC and BCC lattices among all the Bravais lattices (without a density constraint). The largest possible open interval of density's values where the simple cubic lattice is a local minimizer is also computed.

  16. Comparison of electron bands of hexagonal and cubic diamond (United States)

    Salehpour, M. R.; Satpathy, S.


    Using the local-density-theory and the linear-muffin-tin-orbitals method, we calculate the electron band structures of hexagonal (lonsdaleite) and cubic diamond. Even though the arrangement of atoms is very similar between the two crystal structures, we find significant differences in the electron bands, especially in the conduction bands. In particular, including estimated corrections on top of the local-density results, we find the lowest theoretical gap of hexagonal diamond to be 4.5 eV, i.e., a remarkable 1.1-eV drop as compared to that of cubic diamond. The lowest gap in the hexagonal structure is still indirect as in the cubic structure, but the gap is now from Γ to K. The reduction of the band gap should be observable in optical-absorption or reflectivity experiments.

  17. Mechanisms of optical gain in cubic gallium nitrite (United States)

    Holst, J.; Eckey, L.; Hoffmann, A.; Broser, I.; Schöttker, B.; As, D. J.; Schikora, D.; Lischka, K.


    We report on the mechanisms of optical gain in cubic GaN. Intensity-dependent gain spectra allow a distinction of the processes involved in providing optical amplification. For moderate excitation levels, the biexciton decay is responsible for a gain structure at 3.265 eV. With increasing excitation densities, gain is observed on the high energy side of the cubic band gap due to band filling processes. For the highest pump intensities, the electron-hole plasma is the dominant gain process. Gain values up to 210 cm-1 were obtained, indicating the high potential of cubic GaN for device applications. The observed gain mechanisms are similar to those of hexagonal GaN.

  18. Deformation of the cubic open string field theory

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Taejin, E-mail:


    We study a consistent deformation of the cubic open bosonic string theory in such a way that the non-planar world sheet diagrams of the perturbative string theory are mapped onto their equivalent planar diagrams of the light-cone string field theory with some length parameters fixed. An explicit evaluation of the cubic string vertex in the zero-slope limit yields the correct relationship between the string coupling constant and the Yang–Mills coupling constant. The deformed cubic open string field theory is shown to produce the non-Abelian Yang–Mills action in the zero-slope limit if it is defined on multiple D-branes. Applying the consistent deformation systematically to multi-string world sheet diagrams, we may be able to calculate scattering amplitudes with an arbitrary number of external open strings.

  19. Deformation of the cubic open string field theory

    Directory of Open Access Journals (Sweden)

    Taejin Lee


    Full Text Available We study a consistent deformation of the cubic open bosonic string theory in such a way that the non-planar world sheet diagrams of the perturbative string theory are mapped onto their equivalent planar diagrams of the light-cone string field theory with some length parameters fixed. An explicit evaluation of the cubic string vertex in the zero-slope limit yields the correct relationship between the string coupling constant and the Yang–Mills coupling constant. The deformed cubic open string field theory is shown to produce the non-Abelian Yang–Mills action in the zero-slope limit if it is defined on multiple D-branes. Applying the consistent deformation systematically to multi-string world sheet diagrams, we may be able to calculate scattering amplitudes with an arbitrary number of external open strings.

  20. Tetragonal and cubic zirconia multilayered ceramic constructs created by EPD. (United States)

    Mochales, Carolina; Frank, Stefan; Zehbe, Rolf; Traykova, Tania; Fleckenstein, Christine; Maerten, Anke; Fleck, Claudia; Mueller, Wolf-Dieter


    The interest in electrophoretic deposition (EPD) for nanomaterials and ceramics production has widely increased due to the versatility of this technique to effectively combine different materials in unique shapes and structures. We successfully established an EPD layering process with submicrometer sized powders of Y-TZP with different mol percentages of yttrium oxide (3 and 8%) and produced multilayers of alternating tetragonal and cubic phases with a clearly defined interface. The rationale behind the design of these multilayer constructs was to optimize the properties of the final ceramic by combining the high mechanical toughness of the tetragonal phase of zirconia together with the high ionic conductivity of its cubic phase. In this work, a preliminary study of the mechanical properties of these constructs proved the good mechanical integrity of the multilayered constructs obtained as well as crack deflection in the interface between tetragonal and cubic zirconia layers.

  1. On Compatible Normal Odd Partitions in Cubic Graphs

    CERN Document Server

    Fouquet, Jean-Luc


    A normal odd partition T of the edges of a cubic graph is a partition into trails of odd length (no repeated edge) such that each vertex is the end vertex of exactly one trail of the partition and internal in some trail. For each vertex v, we can distinguish the edge for which this vertex is pending. Three normal odd partitions are compatible whenever these distinguished edges are distinct for each vertex. We examine this notion and show that a cubic 3 edge-colorable graph can always be provided with three compatible normal odd partitions. The Petersen graph has this property and we can construct other cubic graphs with chromatic index four with the same property. Finally, we propose a new conjecture which, if true, would imply the well known Fan and Raspaud Conjecture

  2. Controlled synthesis of Eu2+ and Eu3+ doped ZnS quantum dots and their photovoltaic and magnetic properties


    Sabit Horoz; Baichhabi Yakami; Uma Poudyal; Jon M. Pikal; Wenyong Wang; Jinke Tang


    Eu-doped ZnS quantum dots (QDs) have been synthesized by wet-chemical method and found to form in zinc blende (cubic) structure. Both Eu2+ and Eu3+ doped ZnS can be controllably synthesized. The Eu2+ doped ZnS QDs show broad photoluminescence emission peak around 512 nm, which is from the Eu2+ intra-ion transition of 4f6d1 – 4f7, while the Eu3+ doped samples exhibit narrow emission lines characteristic of transitions between the 4f levels. The investigation of the magnetic properties shows th...

  3. Cubic Yb3+-activated Y6MoO12 micro-powder - optical material operating in NIR region (United States)

    Bieza, M.; Guzik, M.; Tomaszewicz, E.; Guyot, Y.; Boulon, G.


    We present Yb3+-doped Y6MoO12 solid solutions as a very promising NIR emitting phosphor with some hope to obtain them in the nearest future in the form of transparent ceramics due to their cubic structure. The samples are crystallizing in the cubic system with the space group Fm-3m. To perform a full structural and spectroscopic analysis on the well crystallized samples they were obtained in the uniform micro-crystal forms. The ternary Y6MoO12 and Yb3+-doped Y6MoO12 solid solutions containing a large concentration range of activator (0.1, 1, 3, 5, 10, 20 mol%) have been prepared by a high-temperature solid-state reaction method using the Yb2O3/Y2O3/MoO3 mixtures annealed in the air in the temperature range of 550-1550 °C for 6 h. As-obtained samples were systematically characterized by the X-ray powder diffraction (XRD), scanning electron microscopy (SEM), UV-Vis-NIR reflectance. Furthermore, to check the thermal stability of these molybdates the thermogravimetric analysis have been performed. Finally, the luminescent properties of Yb3+ ions activated Y6MoO12 microcrystals were investigated by using the high resolution absorption and emission techniques including the site selective spectroscopy at room and low temperatures. Basing on the absorption and emission spectra the Yb3+ electronic energy levels diagram has been proposed for the main site. The concentration quenching mechanism of Yb3+ ion in this host lattice was also discussed. Obtained results have demonstrated that Yb3+-doped Y6MoO12 microcrystals exhibited good luminescent properties and possess many advantages compared to other compounds based on molybdates and might have potential applications in the laser technology.

  4. 3D confocal imaging in CUBIC-cleared mouse heart

    Energy Technology Data Exchange (ETDEWEB)

    Nehrhoff, I.; Bocancea, D.; Vaquero, J.; Vaquero, J.J.; Lorrio, M.T.; Ripoll, J.; Desco, M.; Gomez-Gaviro, M.V.


    Acquiring high resolution 3D images of the heart enables the ability to study heart diseases more in detail. Here, the CUBIC (clear, unobstructed brain imaging cocktails and computational analysis) clearing protocol was adapted for thick mouse heart sections to increase the penetration depth of the confocal microscope lasers into the tissue. The adapted CUBIC clearing of the heart lets the antibody penetrate deeper into the tissue by a factor of five. The here shown protocol enables deep 3D highresolution image acquisition in the heart. This allows a much more accurate assessment of the cellular and structural changes that underlie heart diseases. (Author)

  5. Trace spaces in a pre-cubical complex

    DEFF Research Database (Denmark)

    Raussen, Martin

    arc length which moreover is shown to be invariant under directed homotopies. D-paths up to reparametrization (called traces) can thus be represented by arc length parametrized d-paths. Under weak additional conditions,it is shown that trace spaces in a pre-cubical complex are separable metric spaces......In directed algebraic topology, (spaces of) directed irreversible (d)-paths are studied from a topological and from a categorical point of view. Motivated by models for concurrent computation, we study in this paper spaces of d-paths in a pre-cubical complex. Such paths are equipped with a natural...

  6. Krypton irradiation damage in Nd-doped zirconolite and perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Davoisne, C. [Department of Materials, Imperial College London, London (United Kingdom); LRCS, CNRS-UMR 6007, Universite de Picardie Jules Verne, Amiens (France); Stennett, M.C.; Hyatt, N.C. [Immobilisation Science Laboratory, Department of Materials Science and Engineering, University of Sheffield, Sheffield (United Kingdom); Peng, N.; Jeynes, C. [Ion Beam Centre, University of Surrey, Guildford (United Kingdom); Lee, W.E., E-mail: [Department of Materials, Imperial College London, London (United Kingdom)


    Understanding the effect of radiation damage and noble gas accommodation in potential ceramic hosts for plutonium disposition is necessary to evaluate their long-term behaviour during geological disposal. Polycrystalline samples of Nd-doped zirconolite and Nd-doped perovskite were irradiated ex situ with 2 MeV Kr{sup +} at a dose of 5 x 10{sup 15} ions cm{sup -2} to simulate recoil of Pu nuclei during alpha decay. The feasibility of thin section preparation of both pristine and irradiated samples by Focused Ion Beam sectioning was demonstrated. After irradiation, the Nd-doped zirconolite revealed a well defined amorphous region separated from the pristine material by a thin (40-60 nm) damaged interface. The zirconolite lattice was lost in the damaged interface, but the fluorite sublattice was retained. The Nd-doped perovskite contained a defined irradiated layer composed of an amorphous region surrounded by damaged but still crystalline layers. The structural evolution of the damaged regions is consistent with a change from orthorhombic to cubic symmetry. In addition in Nd-doped perovskite, the amorphisation dose depended on crystallographic orientation and possibly sample configuration (thin section or bulk). Electron Energy Loss Spectroscopy revealed Ti remained in the 4+ oxidation state but there was a change in Ti coordination in both Nd-doped perovskite and Nd-doped zirconolite associated with the crystalline to amorphous transition.

  7. Synthesis and characterization of Sn-doped CdZnS nanoparticles

    Indian Academy of Sciences (India)

    Tin (Sn)-doped cadmium zinc sulphide nanoparticles (CdZnS : Sn) were synthesized by the chemical bath deposition method with two different concentrations of Sn (2 and 4 mol%). X-ray diffraction (XRD) pattern reveals the formation of CdZnS nanoparticles with cubic and hexagonal structure. It was observed that the ...

  8. Doping and stability of 3C-SiC: from thinfilm to bulk growth

    DEFF Research Database (Denmark)

    Jokubavicius, V.; Sun, J.; Linnarsson, M. K.

    Cubic silicon carbide (3C-SiC) could pave the way for development of advanced electronic and optoelectronic devices. It could be an excellent substrate for growth of nitride and epitaxial graphene layers. Boron doped 3C-SiC films could reach up to 60% efficiency and pave the way for a new solar c...

  9. Tuning of dielectric, pyroelectric and ferroelectric properties of 0.715Bi0.5Na0.5TiO3-0.065BaTiO3-0.22SrTiO3 ceramic by internal clamping (United States)

    Patel, Satyanarayan; Chauhan, Aditya; Kundu, Swarup; Madhar, Niyaz Ahamad; Ilahi, Bouraoui; Vaish, Rahul; Varma, K. B. R.


    This study systematically investigates the phenomenon of internal clamping in ferroelectric materials through the formation of glass-ceramic composites. Lead-free 0.715Bi0.5Na0.5TiO3-0.065BaTiO3-0.22SrTiO3 (BNT-BT-ST) bulk ferroelectric ceramic was selected for the course of investigation. 3BaO - 3TiO2 - B2O3 (BTBO) glass was then incorporated systematically to create sintered samples containing 0%, 2%, 4% and 6% glass (by weight). Upon glass induction features like remnant polarization, saturation polarization, hysteresis losses and coercive field could be varied as a function of glass content. Such effects were observed to benefit derived applications like enhanced energy storage density ˜174 kJ/m3 to ˜203 kJ/m3 and pyroelectric coefficient 5.7x10-4 Cm-2K-1 to 6.8x10-4 Cm-2K-1 by incorporation of 4% glass. Additionally, BNT-BT-ST depolarization temperature decreased from 457K to 431K by addition of 4% glass content. Glass incorporation could systematically increases diffuse phase transition and relaxor behavior temperature range from 70 K to 81K and 20K to 34 K, respectively when 6% and 4% glass content is added which indicates addition of glass provides better temperature stability. The most promising feature was observed to be that of dielectric response tuning. It can be also used to control (to an extent) the dielectric behavior of the host ceramic. Dielectric permittivity and losses decreased from 1278 to 705 and 0.109 to 0.107 for 6% glass, at room temperature. However this reduction in dielectric constant and loss increases pyroelectric figures of merit (FOMs) for high voltage responsivity (Fv) high detectivity (Fd) and energy harvesting (Fe) from 0.018 to 0.037 m2C-1, 5.89 to 8.85 μPa-1/2 and 28.71 to 61.55 Jm-3K-2, respectively for 4% added ceramic-glass at room temperature. Such findings can have huge implications in the field of tailoring ferroelectric response for application specific requirements.

  10. Magnetic properties of crystalline and amorphous phase-change materials doped with 3d impurities. (United States)

    Zhang, Wei; Ronneberger, Ider; Li, Yan; Mazzarello, Riccardo


    First-principles study of the structural and magnetic properties of cubic and amorphous phase-change materials doped with 3d impurities. We find that Co- and Ni-doped Ge(2) Sb(2) Te(5) is non-magnetic, whereas Cr- and Mn-doped Ge(2) Sb(2) Te(5) is magnetic and exhibits a significant magnetic contrast between the two phases in the ferromagnetic configuration. These results are explained in terms of differences in local structure and hybridization of the impurity d-orbitals with the host states. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Synthesis and structure of undoped and indium-doped thermoelectric lead telluride nanoparticles


    Kadel, Kamal; Kumari, Latha; Wang, Xuewen; Li, Wenzhi; Huang, Jian Yu; Provencio, Paula Polyak


    Undoped and indium (In)-doped lead telluride (PbTe) nanostructures were synthesized via solvothermal/hydrothermal route. The crystalline structure of the as-prepared undoped and In-doped PbTe samples was examined by X-ray diffraction (XRD) which indicated the formation of face-centered single-phase cubic crystal. A first principle calculation on indium doping shows that the indium atoms are more likely to replace lead (Pb) rather than to take the interstitial sites. Laser-induced breakdown sp...

  12. Characterization of yttria-doped zirconia powders produced by plasma-chemical method

    DEFF Research Database (Denmark)

    Kuzjukevics, A.; Linderoth, Søren; Grabis, J.


    Ultrafine non-doped and yttria-doped zirconia (ZY) powders have been produced by a single-step plasma synthesis method. The amount of yttria doping was varied between 0 and about 10 mol%. The phase composition, structural parameters and morphology of the as-prepared powders have been examined by X...... transmission electron microscopy. The ZY ultrafine powders were mixtures of a cubic and a non-transformable tetragonal zirconia phases. The amount of the tetragonal phase decreased with the overall yttria content but with a composition that remained almost the same. Neutron diffraction revealed diffuse...

  13. Trapping of cubic ZnO nanocrystallites at ambient conditions

    DEFF Research Database (Denmark)

    Decremps, F.; Pellicer-Porres, J.; Datchi, F.


    Dense powder of nanocrystalline ZnO has been recovered at ambient conditions in the metastable cubic structure after a heat treatment at high pressure (15 GPa and 550 K). Combined x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) experiments have been performed to probe both long...

  14. Aspects on mediated glucose oxidation at a supported cubic phase. (United States)

    Aghbolagh, Mahdi Shahmohammadi; Khani Meynaq, Mohammad Yaser; Shimizu, Kenichi; Lindholm-Sethson, Britta


    A supported liquid crystalline cubic phase housing glucose oxidase on an electrode surface has been suggested as bio-anode in a biofuel. The purpose of this investigation is to clarify some aspect on the mediated enzymatic oxidation of glucose in such a bio-anode where the mediator ferrocene-carboxylic acid and glucose were dissolved in the solution. The enzyme glucose oxidase was housed in the water channels of the mono-olein cubic phase. The system was investigated with cyclic voltammetry at different scan rates and the temperature was varied between 15°C and 30°C. The diffusion coefficient of the mediator and also the film resistance was estimated showing a large decrease in the mass-transport properties as the temperature was decreased. The current from mediated oxidation of glucose at the electrode surface increased with decreasing film thickness. The transport of the mediator in the cubic phase was the rate-limiting step in the overall reaction, where the oxidation of glucose took place at the outer surface of the cubic phase. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Computation of conjugate depths in cubic-shape open channels ...

    African Journals Online (AJOL)

    For rectangular channels, an explicit equation for obtaining the conjugate depth has been derived and is available in any standard hydraulics text. This paper is to develop a procedure for computing the conjugate depth in cubic-shaped open channels, given an initial depth. This procedure involves the use of a table or a ...

  16. Global Well-Posedness for Cubic NLS with Nonlinear Damping

    KAUST Repository

    Antonelli, Paolo


    We study the Cauchy problem for the cubic nonlinear Schrödinger equation, perturbed by (higher order) dissipative nonlinearities. We prove global in-time existence of solutions for general initial data in the energy space. In particular we treat the energy-critical case of a quintic dissipation in three space dimensions. © Taylor & Francis Group, LLC.

  17. Occurrence of stable periodic modes in a pendulum with cubic ...

    Indian Academy of Sciences (India)

    Abstract. Dynamical systems with nonlinear damping show interesting behavior in the periodic and chaotic phases. The Froude pendulum with cubical and linear damping is a paradigm for such a system. In this work the driven Froude pendulum is studied by the harmonic balancing method; the resulting nonlinear response ...

  18. Occurrence of stable periodic modes in a pendulum with cubic ...

    Indian Academy of Sciences (India)

    Dynamical systems with nonlinear damping show interesting behavior in the periodic and chaotic phases. The Froude pendulum with cubical and linear damping is a paradigm for such a system. In this work the driven Froude pendulum is studied by the harmonic balancing method; the resulting nonlinear response curves ...

  19. A Unified Approach to Teaching Quadratic and Cubic Equations. (United States)

    Ward, A. J. B.


    Presents a simple method for teaching the algebraic solution of cubic equations via completion of the cube. Shows that this method is readily accepted by students already familiar with completion of the square as a method for quadratic equations. (Author/KHR)

  20. computation of conjugate depths in cubic-shaped open channels

    African Journals Online (AJOL)

    channels, an explicit equation for obtaining the conjugate depth has been derived and is available in any standard hydraulics text. This paper is to develop a procedure for computing the conjugate depth in cubic-shaped open channels, given an initial depth. This procedure involves the use of a table or a chart and avoids ...

  1. A look through ‘lens’ cubic mitochondria (United States)

    Almsherqi, Zakaria; Margadant, Felix; Deng, Yuru


    Cell membranes may fold up into three-dimensional nanoperiodic cubic structures in biological systems. Similar geometries are well studied in other disciplines such as mathematics, physics and polymer chemistry. The fundamental function of cubic membranes in biological systems has not been uncovered yet; however, their appearance in specialized cell types indicates a role as structural templates or perhaps direct physical entities with specialized biophysical properties. The mitochondria located at the inner segment of the retinal cones of tree shrew (Tupaia glis and Tupaia belangeri) contain unique patterns of concentric cristae with a highly ordered membrane arrangement in three dimensions similar to the photonic nanostructures observed in butterfly wing scales. Using a direct template matching method, we show that the inner mitochondrial membrane folds into multi-layered (8 to 12 layers) gyroid cubic membrane arrangements in the photoreceptor cells. Three-dimensional simulation data demonstrate that such multi-layer gyroid membrane arrangements in the retinal cones of a tree shrew's eye can potentially function as: (i) multi-focal lens; (ii) angle-independent interference filters to block UV light; and (iii) a waveguide photonic crystal. These theoretical results highlight for the first time the significance of multi-layer cubic membrane arrangements to achieve near-quasi-photonic crystal properties through the simple and reversible biological process of continuous membrane folding. PMID:24098837

  2. A simple method for indexing powder diffraction patterns of cubic ...

    African Journals Online (AJOL)

    A simple method for indexing powder diffraction patterns of cubic materials:(1) using the θ-values of reference. ... Tanzania Journal of Science ... Alternatively, you can download the PDF file directly to your computer, from where it can be ...

  3. Influence of strontium on the cubic to ordered hexagonal phase ...

    Indian Academy of Sciences (India)

    ... Lecture Workshops · Refresher Courses · Symposia. Home; Journals; Bulletin of Materials Science; Volume 23; Issue 6. Influence of strontium on the cubic to ordered hexagonal phase transformation in barium magnesium niobate. M Thirumal A K Ganguli. Phase Transitions Volume 23 Issue 6 December 2000 pp 495-498 ...

  4. Interaction of dispersed cubic phases with blood components

    DEFF Research Database (Denmark)

    Bode, J C; Kuntsche, Judith; Funari, S S


    The interaction of aqueous nanoparticle dispersions, e.g. based on monoolein/poloxamer 407, with blood components is an important topic concerning especially the parenteral way of administration. Therefore, the influence of human and porcine plasma on dispersed cubic phases was investigated. Part...

  5. Tangent Lines without Derivatives for Quadratic and Cubic Equations (United States)

    Carroll, William J.


    In the quadratic equation, y = ax[superscript 2] + bx + c, the equation y = bx + c is identified as the equation of the line tangent to the parabola at its y-intercept. This is extended to give a convenient method of graphing tangent lines at any point on the graph of a quadratic or a cubic equation. (Contains 5 figures.)

  6. A cubic interpolation algorithm for solving non-linear equations ...

    African Journals Online (AJOL)

    A new Algorithm - based on cubic interpolation have been developed for solving non-linear algebraic equations. The Algorithm is derived from LaGrange's interpolation polynomial. The method discussed here is faster than the \\"Regular Falsi\\" which is based on linear interpolation. Since this new method does not involve ...

  7. Specific heat of the simple-cubic Ising model

    NARCIS (Netherlands)

    Feng, X.; Blöte, H.W.J.


    We provide an expression quantitatively describing the specific heat of the Ising model on the simple-cubic lattice in the critical region. This expression is based on finite-size scaling of numerical results obtained by means of a Monte Carlo method. It agrees satisfactorily with series expansions

  8. C2-rational cubic spline involving tension parameters

    Indian Academy of Sciences (India) Keywords. Interpolation; rational; spline; tension parameter; monotonicity; convexity; continuity. Abstract. In the present paper, 1-piecewise rational cubic spline function involving tension parameters is considered which produces a monotonic interpolant to a given ...

  9. The traveling salesman problem on cubic and subcubic graphs

    NARCIS (Netherlands)

    S. Boyd; R.A. Sitters (René); S.L. van der Ster; L. Stougie (Leen)


    htmlabstractWe study the traveling salesman problem (TSP) on the metric completion of cubic and subcubic graphs, which is known to be NP-hard. The problem is of interest because of its relation to the famous 4/3-conjecture for metric TSP, which says that the integrality gap, i.e., the worst case

  10. High-pressure synthesis of the cubic perovskite BaRuO3 and evolution of ferromagnetism in ARuO3 (A = Ca, Sr, Ba) ruthenates (United States)

    Jin, C.-Q.; Zhou, J.-S.; Goodenough, J. B.; Liu, Q. Q.; Zhao, J. G.; Yang, L. X.; Yu, Y.; Yu, R. C.; Katsura, T.; Shatskiy, A.; Ito, E.


    The cubic perovskite BaRuO3 has been synthesized under 18 GPa at 1,000°C. Rietveld refinement indicates that the new compound has a stretched Ru–O bond. The cubic perovskite BaRuO3 remains metallic to 4 K and exhibits a ferromagnetic transition at Tc = 60 K, which is significantly lower than the Tc ≈ 160 K for SrRuO3. The availability of cubic perovskite BaRuO3 not only makes it possible to map out the evolution of magnetism in the whole series of ARuO3 (A = Ca, Sr, Ba) as a function of the ionic size of the A-site rA, but also completes the polytypes of BaRuO3. Extension of the plot of Tc versus rA in perovskites ARuO3 (A = Ca, Sr, Ba) shows that Tc does not increase as the cubic structure is approached, but has a maximum for orthorhombic SrRuO3. Suppressing Tc by Ca and Ba doping in SrRuO3 is distinguished by sharply different magnetic susceptibilities χ(T) of the paramagnetic phase. This distinction has been interpreted in the context of a Griffiths' phase on the (Ca Sr)RuO3 side and bandwidth broadening on the (Sr,Ba)RuO3 side. PMID:18480262

  11. Thermoelectric properties of strontium titanate superlattices incorporating niobium oxide nanolayers

    KAUST Repository

    Sarath Kumar, S. R.


    A novel superlattice structure based on epitaxial nanoscale layers of NbOx and Nb-doped SrTiO3 is fabricated using a layer-by-layer approach on lattice matched LAO substrates. The absolute Seebeck coefficient and electrical conductivity of the [(NbOx) a/(Nb-doped SrTiO3)b]20 superlattices (SLs) were found to increase with decreasing layer thickness ratio (a/b ratio), reaching, at high temperatures, a power factor that is comparable to epitaxial Nb-doped SrTiO3 (STNO) films (∼0.7 W m-1 K-1). High temperature studies reveal that the SLs behave as n-type semiconductors and undergo an irreversible change at a varying crossover temperature that depends on the a/b ratio. By use of high resolution X-ray photoelectron spectroscopy and X-ray diffraction, the irreversible changes are identified to be due to a phase transformation from cubic NbO to orthorhombic Nb2O5, which limits the highest temperature of stable operation of the superlattice to 950 K. © 2014 American Chemical Society.

  12. Effect of heat treatment on the crystal structure and FTIR spectra of Sm doped cerium dioxide film (United States)

    Liu, Xiaozhou; Liu, Xiaozhou; Xia, Letian; Chen, Jie; Wang, Xiaoyu


    The Sm doped cerium dioxide films were prepared with cerium foils as raw materials by anodization in Sm(NO3)3-Na2C2O4-NH3·H2O-H2O-(CH2OH)2 electrolyte. The anodic Sm doped cerium oxide films were heat treated in 100°C ~ 400°C. The heat treated anodic Sm doped cerium oxide films were characterized with X-ray diffraction (XRD) and Fourier transform infrared (FTIR) techniques respectively. The heat treated anodic Sm doped cerium oxide film at 100°C is the semi crystalline film. As heat treatment temperatures being in 200°C ~ 400°C, the heat treated anodic Sm doped cerium oxide films have a structure of cubic fluorite respectively. The doping of Sm can be achieved well by anodization method and be recognized as replacement doping or caulking doping. The crystal structure of Sm doped cerium dioxide films become more complete with the increase of heat treatment temperature in 200 ~ 400 °C. The doping of Sm can improve the crystallinity of the cerium dioxide film. The presence of adsorbing water, ethylene glycol and CO2 in the heat treated anodic Sm doped cerium oxide film at 100°C. The adsorbing ethylene glycols and water, CO2 in the anodic Sm doped cerium oxide film are removed at 200°C and 300°C respectively.

  13. Crystallographic and optical studies on Cr doped ZnS nanocrystals

    Directory of Open Access Journals (Sweden)

    M. R. Bodke


    Full Text Available Chromium doped ZnS nanocrystals with pure and 10% compositions were synthesized by chemical co-precipitation route. Samples were characterized by X-ray diffraction (XRD technique, Fourier transforms infrared spectroscopy (FTIR and UV-Visible spectrometer. Lattice parameter 'a' decreases and grain size increases with increasing Cr concentration. XRD study shows that both the samples have cubic structure. Grain size increases due to ionic radius. The functional groups and chemical species of Cr doped ZnO samples were determined using FTIR data. UV-Vis study revealed that red shift is clearly observed in absorption band. Surface morphology of pure and 10% Cr doped samples was investigated by SEM technique and it is confirmed that images exibit cubic form of the samples. Using EDS, percentage of chemical compositions of material recorded.

  14. Synthesis and characterization of europium doped LiF phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Villalobos, M. L.; Vallejo, M. A.; Sosa A, M. [Universidad de Guanajuato, Division de Ciencias e Ingenierias, Loma del Bosque No. 103, Lomas del Campestre, 37150 Leon, Guanajuato (Mexico); Diaz T, L. A., E-mail: [Centro de Investigaciones en Optica, A. C., Loma del Bosque No. 115, Lomas del Campestre, 37150 Leon, Guanajuato (Mexico)


    LiF with different dopants has been one of the most investigated materials to use as thermoluminescent dosimeter. In this paper, we present the preparation method, the characterization and the thermoluminescent response of Eu doped LiF irradiated with X-rays. Pure and Eu doped LiF samples with different dopant concentration (0, 0.25, 0.5, 0.75 and 1 % mol) were synthesized using the precipitation method. The samples were structurally characterized by X-ray diffraction (XRD), the diffraction patterns showed a main cubic crystalline structure and a secondary hexagonal structure. The photoluminescence spectrum exhibited four well defined peaks characteristic of the Eu{sup 3+} ion. Thermoluminescent (Tl) glow curves of x-ray irradiated samples showed a well-defined single peak around 200 degrees C, except for the pure and 0.25% Eu doped samples. (Author)

  15. Affine equivalence of cubic homogeneous rotation symmetric Boolean functions

    CERN Document Server

    Cusick, Thomas W


    Homogeneous rotation symmetric Boolean functions have been extensively studied in recent years because of their applications in cryptography. Little is known about the basic question of when two such functions are affine equivalent. The simplest case of quadratic rotation symmetric functions which are generated by cyclic permutations of the variables in a single monomial was only settled in 2009. This paper studies the much more complicated cubic case for such functions. A new concept of \\emph{patterns} is introduced, by means of which the structure of the smallest group G_n, whose action on the set of all such cubic functions in $n$ variables gives the affine equivalence classes for these functions under permutation of the variables, is determined. We conjecture that the equivalence classes are the same if all nonsingular affine transformations, not just permutations, are allowed. This conjecture is verified if n < 22. Our method gives much more information about the equivalence classes; for example, in t...

  16. The Piecewise Cubic Method (PCM) for computational fluid dynamics (United States)

    Lee, Dongwook; Faller, Hugues; Reyes, Adam


    We present a new high-order finite volume reconstruction method for hyperbolic conservation laws. The method is based on a piecewise cubic polynomial which provides its solutions a fifth-order accuracy in space. The spatially reconstructed solutions are evolved in time with a fourth-order accuracy by tracing the characteristics of the cubic polynomials. As a result, our temporal update scheme provides a significantly simpler and computationally more efficient approach in achieving fourth order accuracy in time, relative to the comparable fourth-order Runge-Kutta method. We demonstrate that the solutions of PCM converges at fifth-order in solving 1D smooth flows described by hyperbolic conservation laws. We test the new scheme on a range of numerical experiments, including both gas dynamics and magnetohydrodynamics applications in multiple spatial dimensions.

  17. Negative thermal expansion materials related to cubic zirconium tungstate (United States)

    Lind, Cora


    A non-hydrolytic sol-gel method for the preparation of ZrW2O 8 was developed. A new trigonal polymorph was discovered, which is structurally related to trigonal ZrMO2O8 and MnRe2O 8 as evidenced by powder x-ray diffraction and EXAFS studies. Seeding of the starting mixtures with cubic ZrW2O8 promoted crystallization of the cubic phase instead of trigonal material. Dehydration of ZrW2O7(OH)2·2H 2O gave cubic ZrW2O8 at 650°C, and a modification of this route led to the discovery of the new NTE materials cubic ZrMo 2O8 and HfMo2O8. These compounds crystallize in the same temperature range as the more stable trigonal AMo2O 8 polymorphs. To facilitate preparation of phase pure cubic molybdates, the influence of precursor chemistry on the crystallization behavior was investigated. The synthesis was extended to the solid solution system ZrxHf 1-xMoyW2-yO8 (0 ≤ x ≤ 1, 0 ≤ y ≤ 2). All compounds showed negative thermal expansion between 77 and 573 K. High-pressure in situ diffraction experiments were conducted on several AM2O8 polymorphs. With the exception of monoclinic ZrMo2O8, all materials underwent at least one pressure induced phase transition. Quasi-hydrostatic experiments on cubic AMo 2O8 led to a reversible transition to a new high-pressure structure, while low-pressure amorphization was observed under non-hydrostatic conditions. Isothermal kinetic studies of the cubic to trigonal transformation for ZrMo2O8 were carried out on four samples. Apparent activation energies of 170--290 kJ/mol were obtained using an Avrami model in combination with an Arrhenius analysis. This corresponds to 5% conversion levels after one year at temperatures between 220 and 315°C. Ex situ studies showed that the conversion at lower temperatures was considerably slower than what would be expected from extrapolation of the kinetic data. Drop solution calorimetry was carried out on several polymorphs of ZrMo 2O8, HfMo2O8 and ZrW2O 8. Only monoclinic ZrMo2O8 was enthalpically

  18. Plasma simulation with the Differential Algebraic Cubic Interpolated Propagation scheme

    Energy Technology Data Exchange (ETDEWEB)

    Utsumi, Takayuki [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment


    A computer code based on the Differential Algebraic Cubic Interpolated Propagation scheme has been developed for the numerical solution of the Boltzmann equation for a one-dimensional plasma with immobile ions. The scheme advects the distribution function and its first derivatives in the phase space for one time step by using a numerical integration method for ordinary differential equations, and reconstructs the profile in phase space by using a cubic polynomial within a grid cell. The method gives stable and accurate results, and is efficient. It is successfully applied to a number of equations; the Vlasov equation, the Boltzmann equation with the Fokker-Planck or the Bhatnagar-Gross-Krook (BGK) collision term and the relativistic Vlasov equation. The method can be generalized in a straightforward way to treat cases such as problems with nonperiodic boundary conditions and higher dimensional problems. (author)

  19. Structural and magnetic transitions in cubic Mn3Ga. (United States)

    Kharel, P; Huh, Y; Al-Aqtash, N; Shah, V R; Sabirianov, R F; Skomski, R; Sellmyer, D J


    The structural, magnetic and electron-transport properties of cubic Mn3Ga have been investigated. The alloys prepared by arc melting and melt-spinning show an antiferromagnetic spin order at room temperature but undergo coupled structural and magnetic phase transitions at 600 and 800 K. First-principles calculations show that the observed magnetic properties are consistent with that of a cubic Mn3Ga crystallizing in the disordered Cu3Au-type structure. The samples exhibit metallic electron transport with a resistance minimum near 30 K, followed by a logarithmic upturn below the minimum. The observed anomaly in the low-temperature resistivity has been discussed as a consequence of electron scattering at the low-lying excitations of the structurally disordered Mn3Ga lattice.

  20. Experimental core electron density of cubic boron nitride

    DEFF Research Database (Denmark)

    Wahlberg, Nanna; Bindzus, Niels; Bjerg, Lasse

    candidate because of its many similarities with diamond: bonding pattern in the extended network structure, hardness, and the quality of the crystallites.3 However, some degree ionic interaction is a part of the bonding in boron nitride, which is not present in diamond. By investigating the core density...... beyond multipolar modeling of the valence density. As was recently shown in a benchmark study of diamond by Bindzus et al.1 The next step is to investigate more complicated chemical bonding motives, to determine the effect of bonding on the core density. Cubic boron nitride2 lends itself as a perfect...... in boron nitride we may obtain a deeper understanding of the effect of bonding on the total density. We report here a thorough investigation of the charge density of cubic boron nitride with a detailed modelling of the inner atom charge density. By combining high resolution powder X-ray diffraction data...

  1. Highly Aminated Mesoporous Silica Nanoparticles with Cubic Pore Structure

    KAUST Repository

    Suteewong, Teeraporn


    Mesoporous silica with cubic symmetry has attracted interest from researchers for some time. Here, we present the room temperature synthesis of mesoporous silica nanoparticles possessing cubic Pm3n symmetry with very high molar ratios (>50%) of 3-aminopropyl triethoxysilane. The synthesis is robust allowing, for example, co-condensation of organic dyes without loss of structure. By means of pore expander molecules, the pore size can be enlarged from 2.7 to 5 nm, while particle size decreases. Adding pore expander and co-condensing fluorescent dyes in the same synthesis reduces average particle size further down to 100 nm. After PEGylation, such fluorescent aminated mesoporous silica nanoparticles are spontaneously taken up by cells as demonstrated by fluorescence microscopy.

  2. Higher-Order Approximation of Cubic-Quintic Duffing Model

    DEFF Research Database (Denmark)

    Ganji, S. S.; Barari, Amin; Babazadeh, H.


    We apply an Artificial Parameter Lindstedt-Poincaré Method (APL-PM) to find improved approximate solutions for strongly nonlinear Duffing oscillations with cubic-quintic nonlinear restoring force. This approach yields simple linear algebraic equations instead of nonlinear algebraic equations...... without analytical solution which makes it a unique solution. It is demonstrated that this method works very well for the whole range of parameters in the case of the cubic-quintic oscillator, and excellent agreement of the approximate frequencies with the exact one has been observed and discussed...... this analytical solution with the Newton-Harmonic Balancing Approach. Results indicate that this technique is very effective and convenient for solving conservative truly nonlinear oscillatory systems. Utter simplicity of the solution procedure confirms that this method can be easily extended to other kinds...

  3. Dislocations in hexagonal and cubic GaN (United States)

    Blumenau, A. T.; Elsner, J.; Jones, R.; Heggie, M. I.; Öberg, S.; Frauenheim, T.; Briddon, P. R.


    The structure and electronic activity of several types of dislocations in both hexagonal and cubic GaN are calculated using first-principles methods. Most of the stoichiometric dislocations investigated in hexagonal GaN do not induce deep acceptor states and thus cannot be responsible for the yellow luminescence. However, it is shown that electrically active point defects, in particular gallium vacancies and oxygen-related defect complexes, can be trapped at the stress field of the dislocations and may be responsible for this luminescence. For cubic GaN, we find the ideal stoichiometric 60° dislocation to be electrically active and the glide set to be more stable than the shuffle. The dissociation of the latter is considered.

  4. Cubic-phase GaN light-emitting diodes (United States)

    Yang, Hui; Zheng, L. X.; Li, J. B.; Wang, X. J.; Xu, D. P.; Wang, Y. T.; Hu, X. W.; Han, P. D.


    The feasibility of growing device-quality cubic GaN/GaAs(001) films by metal organic chemical vapor deposition has been demonstrated. The optical quality of the GaN films was characterized by room-temperature photoluminescence measurements, which shows a full width at half maximum of 46 meV. The structural quality of the films was investigated by transmission electron microscopy. There are submicron-size grains free from threading dislocations and stacking faults. More importantly, a cubic-phase GaN blue light-emitting diode has been fabricated. The device process, which is very simple and compatible with current GaAs technology, indicates a promising future for the blue light-emitting diode.

  5. Anodic etching of p-type cubic silicon carbide (United States)

    Harris, G. L.; Fekade, K.; Wongchotigul, K.


    p-Type cubic silicon carbide was anodically etched using an electrolyte of HF:HCl:H2O. The etching depth was determined versus time with a fixed current density of 96.4 mA/sq cm. It was found that the etching was very smooth and very uniform. An etch rate of 22.7 nm/s was obtained in a 1:1:50 HF:HCl:H2O electrolyte.

  6. Large scale structures and the cubic galileon model

    CERN Document Server

    Bhattacharya, Sourav; Tomaras, Theodore N


    The maximum size of a bound cosmic structure is computed perturbatively as a function of its mass in the framework of the cubic galileon, proposed recently to model the dark energy of our Universe. Comparison of our results with observations constrains the matter-galileon coupling of the model to $0.03\\lesssim \\alpha \\lesssim 0.17$, thus improving previous bounds based solely on solar system physics.

  7. Dry Powder Precursors of Cubic Liquid Crystalline Nanoparticles (cubosomes) (United States)

    Spicer, Patrick T.; Small, William B.; Small, William B.; Lynch, Matthew L.; Burns, Janet L.


    Cubosomes are dispersed nanostructured particles of cubic phase liquid crystal that have stimulated significant research interest because of their potential for application in controlled-release and drug delivery. Despite the interest, cubosomes can be difficult to fabricate and stabilize with current methods. Most of the current work is limited to liquid phase processes involving high shear dispersion of bulk cubic liquid crystalline material into sub-micron particles, limiting application flexibility. In this work, two types of dry powder cubosome precursors are produced by spray-drying: (1) starch-encapsulated monoolein is produced by spray-drying a dispersion of cubic liquid crystalline particles in an aqueous starch solution and (2) dextran-encapsulated monoolein is produced by spray-drying an emulsion formed by the ethanol-dextran-monoolein-water system. The encapsulants are used to decrease powder cohesion during drying and to act as a soluble colloidal stabilizer upon hydration of the powders. Both powders are shown to form (on average) 0.6 μm colloidally-stable cubosomes upon addition to water. However, the starch powders have a broader particle size distribution than the dextran powders because of the relative ease of spraying emulsions versus dispersions. The developed processes enable the production of nanostructured cubosomes by end-users rather than just specialized researchers and allow tailoring of the surface state of the cubosomes for broader application.

  8. Packing of nonoverlapping cubic particles: Computational algorithms and microstructural characteristics (United States)

    Malmir, Hessam; Sahimi, Muhammad; Tabar, M. Reza Rahimi


    Packing of cubic particles arises in a variety of problems, ranging from biological materials to colloids and the fabrication of new types of porous materials with controlled morphology. The properties of such packings may also be relevant to problems involving suspensions of cubic zeolites, precipitation of salt crystals during CO2 sequestration in rock, and intrusion of fresh water in aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We present a detailed simulation and microstructural characterization of packings of nonoverlapping monodisperse cubic particles, following up on our preliminary results [H. Malmir et al., Sci. Rep. 6, 35024 (2016), 10.1038/srep35024]. A modification of the random sequential addition (RSA) algorithm has been developed to generate such packings, and a variety of microstructural descriptors, including the radial distribution function, the face-normal correlation function, two-point probability and cluster functions, the lineal-path function, the pore-size distribution function, and surface-surface and surface-void correlation functions, have been computed, along with the specific surface and mean chord length of the packings. The results indicate the existence of both spatial and orientational long-range order as the the packing density increases. The maximum packing fraction achievable with the RSA method is about 0.57, which represents the limit for a structure similar to liquid crystals.

  9. Trace spaces in a pre-cubical complex

    DEFF Research Database (Denmark)

    Raussen, Martin


    In directed algebraic topology, directed irreversible (d)-paths and spaces consisting of d-paths are studied from a topological and from a categorical point of view. Motivated by models for concurrent computation, we study in this paper spaces of d-paths in a pre-cubical complex. Such paths are e...... are separable metric spaces which are locally contractible and locally compact. Moreover, they have the homotopy type of a CW-complex.......In directed algebraic topology, directed irreversible (d)-paths and spaces consisting of d-paths are studied from a topological and from a categorical point of view. Motivated by models for concurrent computation, we study in this paper spaces of d-paths in a pre-cubical complex. Such paths...... are equipped with a natural arc length which moreover is shown to be invariant under directed homotopies. D-paths up to reparametrization (called traces) can thus be represented by arc length parametrized d-paths. Under weak additional conditions, it is shown that trace spaces in a pre-cubical complex...

  10. Iron-substituted cubic silsesquioxane pillared clays : Synthesis, characterization and acid catalytic activity

    NARCIS (Netherlands)

    Potsi, Georgia; Ladavos, Athanasios K.; Petrakis, Dimitrios; Douvalis, Alexios P.; Sanakis, Yiannis; Katsiotis, Marios S.; Papavassiliou, Georgios; Alhassan, Saeed; Gournis, Dimitrios; Rudolf, Petra


    Novel pillared structures were developed from the intercalation of iron-substituted cubic silsesquioxanes in a sodium and an acid-activated montmorillonite nanoclay and evaluated as acid catalysts. Octameric cubic oligosiloxanes were formed upon controlled hydrolytic polycondensation of the

  11. Solving nonlinear Benjamin-Bona-Mahony equation using cubic B-spline and cubic trigonometric B-spline collocation methods (United States)

    Rahan, Nur Nadiah Mohd; Ishak, Siti Noor Shahira; Hamid, Nur Nadiah Abd; Majid, Ahmad Abd.; Azmi, Amirah


    In this research, the nonlinear Benjamin-Bona-Mahony (BBM) equation is solved numerically using the cubic B-spline (CuBS) and cubic trigonometric B-spline (CuTBS) collocation methods. The CuBS and CuTBS are utilized as interpolating functions in the spatial dimension while the standard finite difference method (FDM) is applied to discretize the temporal space. In order to solve the nonlinear problem, the BBM equation is linearized using Taylor's expansion. Applying the von-Neumann stability analysis, the proposed techniques are shown to be unconditionally stable under the Crank-Nicolson scheme. Several numerical examples are discussed and compared with exact solutions and results from the FDM.

  12. P-type conductivity with a high hole mobility in cubic GaN/GaAs epilayers

    Energy Technology Data Exchange (ETDEWEB)

    As, D.J.; Ruether, A.; Luebbers, M.; Mimkes, J.; Lischka, K.; Schikora, D. [Univ. Paderborn (Germany)


    Temperature dependent Hall-Effect-measurements on unintentionally doped cubic GaN epilayers grown by molecular beam epitaxy (MBE) are reported. The cubic GaN layers have been deposited on semiinsulating (001) GaAs-substrates under N-stabilized growth conditions which were controlled by in-situ reflection high energy electron diffraction (RHEED) measurements. GaN-layers, which were fabricated under N-stabilized conditions have a (2x2) surface reconstruction during growth and show p-type conductivity. At room temperature the measured hole concentrations and mobilities are p = 9.7 {times} 10{sup 12} cm{sup {minus}3}, {mu}{sub p} {approx_equal} 350 cm{sup 2}/Vs, respectively. Temperature dependent measurements of the carrier concentration yield an acceptor activation energy of E{sub A} = 0.445 eV. The nature of these defects will be discussed in view of intrinsic defects proposed by theoretical calculations already published in literature. The temperature dependence of the mobility is dominated by polar optical phonon scattering in the investigated temperature range.

  13. Spectra and energy levels of Eu{sup 3+} in cubic phase Gd{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Eric R. [Kratos Defense and Security Solutions, Inc., 5030 Bradford Dr., Huntsville, AL 35805 (United States); Gruber, John B. [Department of Physics and Astronomy, University of Texas at San Antonio, San Antonio, TX 78249-0697 (United States); Wellenius, Patrick; Muth, John F. [Department of Electrical and Computer Engineering, NC State University, Raleigh, NC 27606 (United States); Everitt, Henry O. [Department of Physics, Duke University, Durham, NC 27708 (United States); Army Aviation and Missile RD and E Center, Redstone Arsenal, AL 35898 (United States)


    In pulsed laser deposition of the sesquioxide semiconductor Gd{sub 2}O{sub 3}, adjusting the chamber oxygen pressure controls the crystalline structure of the host. This technique was used to deposit thin films of nominally 1.6% by weight europium-doped, cubic phase Gd{sub 2}O{sub 3} using 50 mTorr of oxygen. Structural measurements using high-resolution transmission electron microscopy and selected area electron diffraction confirm the films were polycrystalline, cubic phase Eu:Gd{sub 2}O{sub 3}. The spectroscopic assignment of emission lines to specific radiative transitions within the trivalent Eu ion is confirmed by theoretical analysis of the appropriate crystal field Hamiltonian. Detailed crystal-field splittings are presented for the {sup 5}D{sub J=0-2} and {sup 7}F{sub J=0-5} multiplet manifolds of Eu{sup 3+} in this host material. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  14. Single-layer graphene/titanium oxide cubic nanorods array/FTO heterojunction for sensitive ultraviolet light detection (United States)

    Liang, Feng-Xia; Wang, Jiu-Zhen; Wang, Yi; Lin, Yi; Liang, Lin; Gao, Yang; Luo, Lin-Bao


    In this study, we report on the fabrication of a sensitive ultraviolet photodetector (UVPD) by simply transferring single-layer graphene (SLG) on rutile titanium oxide cubic nanorod (TiO2NRs) array. The cubic TiO2NRs array with strong light trapping effect was grown on fluorine-doped tin oxide (FTO) glass through a hydrothermal approach. The as-assembled UVPD was very sensitive to UV light illumination, but virtually blind to white light illumination. The responsivity and specific detectivity were estimated to be 52.1 A/W and 4.3 × 1012 Jones, respectively. What is more, in order to optimize device performance of UVPD, a wet-chemistry treatment was then employed to reduce the high concentration of defects in TiO2NRs during hydrothermal growth. It was found that the UVPD after treatment showed obvious decrease in sensitivity, but the response speed (rise time: 80 ms, fall time: 160 ms) and specific detectivity were substantially increased. It is also found that the speicific detectivity was imporoved by six-fold to 3.2 × 1013 Jones, which was the best result in comparison with previously reported TiO2 nanostructures or thin film based UVPDs. This totality of this study shows that the present SLG/TiO2NR/FTO UVPD may find potential application in future optoelectronic devices and systems.

  15. Preparation and characterization of Ce-doped HfO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Gálvez-Barboza, S. [Centro de Investigación en Química Aplicada, Departamento de Materiales Avanzados, Blvd. Enrique Reyna Hermosillo #140, C.P. 25294 Saltillo, Coahuila (Mexico); Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Av. Industria Metalúrgica # 1062 Parque Industrial, C.P. 25900 Ramos Arizpe, Coahuila (Mexico); González, L.A. [Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Av. Industria Metalúrgica # 1062 Parque Industrial, C.P. 25900 Ramos Arizpe, Coahuila (Mexico); Puente-Urbina, B.A.; Saucedo-Salazar, E.M. [Centro de Investigación en Química Aplicada, Departamento de Materiales Avanzados, Blvd. Enrique Reyna Hermosillo #140, C.P. 25294 Saltillo, Coahuila (Mexico); García-Cerda, L.A., E-mail: [Centro de Investigación en Química Aplicada, Departamento de Materiales Avanzados, Blvd. Enrique Reyna Hermosillo #140, C.P. 25294 Saltillo, Coahuila (Mexico)


    Highlights: • Ce-doped HfO{sub 2} nanoparticles were prepared by a modified solgel method. • Ce-doped HfO{sub 2} nanoparticles have a semispherical shape with sizes between 6 and 11.5 nm. • The samples doped with 10% in weight of Ce directly crystallized in a cubic structure. • A quick, straightforward and effective route for the preparation of Ce-doped nanoparticles. - Abstract: A modified solgel method to synthesize Ce-doped HfO{sub 2} nanoparticles was carried out using a precursor material prepared with cerium nitrate, hafnium chloride, citric acid and ethylene glycol. The obtained precursor material was calcined at 500 and 700 °C for 2 h in air. The influence of the concentration of Ce and the calcination temperature was studied to observe the structural and morphological changes of the obtained materials. For the characterization, X-ray diffraction (XRD), transmission electron microscopy (TEM) and Raman scattering (RS) were employed. The XRD patterns shown that the Ce-doped HfO{sub 2} undergoes a structural transformation from monoclinic to cubic phase, which is significantly dependent on the Ce content and calcination temperature. TEM images have also confirmed the existence of semispherical nanoparticles with sizes between 6 and 11.5 nm.

  16. Solvothermal synthesis and thermoelectric property of undoped and indium doped lead telluride nanoparticles (United States)

    Kadel, Kamal; Li, Wenzhi


    Undoped and indium (In) doped lead telluride (PbTe) nanostructures were synthesized via solvothermal/hydrothermal route. The crystallinity of the as-prepared un-doped and In-doped PbTe sample were examined by X-ray diffraction (XRD) which indicated the formation of face centered single phase cubic PbTe. Lattice constant calculation from XRD pattern revealed the formation of un-doped and In-doped PbTe crystals with almost similar size. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) examinations indicated that undoped and In-doped PbTe nanostructures were mostly cubically shaped and highly crystalline. The effect of the synthesis temperature on the structure and morphology of undoped PbTe was also investigated; it was found that the particle size increased with the synthesis temperature. Thermoelectric property of as-synthesized lead telluride sample was also investigated. This work is supported by the National Science Foundation under the grant DMR- 0548061.

  17. PbCl2-tuned inorganic cubic CsPbBr3(Cl) perovskite solar cells with enhanced electron lifetime, diffusion length and photovoltaic performance (United States)

    Li, Bo; Zhang, Yanan; Zhang, Luyuan; Yin, Longwei


    Inorganic CsPbBr3 perovskite is arousing great interest following after organic-inorganic hybrid halide perovskites, and is found as a good candidate for photovoltaic devices for its prominent photoelectric property and stability. Herein, we for the first time report on PbCl2-tuned inorganic Cl-doped CsPbBr3(Cl) perovskite solar cells with adjustable crystal structure and Cl doping for enhanced carrier lifetime, extraction rate and photovoltaic performance. The effect of PbCl2 on the morphologies, structures, optical, and photovoltaic performance of CsPbBr3 perovskite solar cells is investigated systemically. Compared with orthorhombic CsPbBr3, cubic CsPbBr3 demonstrates a significant improvement for electron lifetime (from 6.7 ns to 12.3 ns) and diffusion length (from 69 nm to 197 nm), as well as the enhanced electron extraction rate from CsPbBr3 to TiO2. More importantly, Cl doping benefits the further enhancement of carrier lifetime (14.3 ns) and diffusion length (208 nm). The Cl doped cubic CsPbBr3(Cl) perovskite solar cell exhibits a Jsc of 8.47 mA cm-2 and a PCE of 6.21%, superior to that of pure orthorhombic CsPbBr3 (6.22 mA cm-2 and 3.78%). The improvement of photovoltaic performance can be attributed to enhanced carrier lifetime, diffusion length and extraction rates, as well as suppressed nonradiative recombination.

  18. Doping in competition or doping in sport? (United States)

    Lippi, Giuseppe; Franchini, Massimo; Guidi, Gian Cesare


    Since ancient times, competitive athletes have been familiar with the use of ergogenic aids and they will probably continue to use unfair and harmful substances in future, because their inclination to victory, along with the mirage of glory and money, will probably overcome health and legal risks. We searched PubMed using the term doping over the period 1990 to the present day. We also included non-English journals. By literature searching, it emerges that the phenomenon of doping is complex and multifaceted. It involves a number of causes and factors that do not originate solely in the athletic field, making universality its main feature. It is in fact observed in all ages and levels of competition, and it concerns all sports, even the most unpredictable. The high number of athletes testing positive for anti-doping controls attests that the current strategy might be analytically adequate to unmask most (but not all) doping practices, but it is probably ineffective to prevent athletes to dope and modify this upsetting trend. Growing points As doping parallels the use of medications, food supplements, alcohol and social drugs, a reinforced preventive policy is advisable. The current anti-doping policy should be replaced with a more efficient and practical strategy to identify and monitor abnormal and harmful deviations of the biochemical and haematological profiles.

  19. Flow and dispersion in an urban cubical cavity (United States)

    Ryu, Young-Hee; Baik, Jong-Jin

    Flow and dispersion in an urban cubical cavity are numerically investigated using a Reynolds-averaged Navier-Stokes equations (RANS) model with the renormalization group (RNG) k- ɛ turbulence closure model. The urban cubical cavity is surrounded by flank walls that are parallel to the streamwise direction, called end-walls, as well as upstream and downstream walls. A primary vortex and secondary vortices including end-wall vortices are formed in the cavity. Because of the end-wall drag effect, the averaged mean-flow kinetic energy in the cavity is smaller than that in an urban street canyon that is open in the along-canyon direction. A trajectory analysis shows that the end-wall vortices cause fluid particles to move in the spanwise direction, indicating that flow in the cavity is essentially three-dimensional. The iso-surfaces of the Okubo-Weiss criterion capture cavity vortices well. The pollutant concentration is high near the bottom of the upstream side in the case of continuous pollutant emission, whereas it is high near the center of the primary vortex in the case of instantaneous pollutant emission. To get some insight into the degree of pollutant escape from the cavity according to various meteorological factors, extensive numerical experiments with different ambient wind speeds and directions, inflow turbulence intensities, and cavity-bottom heating intensities are performed. For each experiment, we calculate the time constant, which is defined as the time taken for the pollutant concentration to decrease to e-1 of its initial value. The time constant decreases substantially with increasing ambient wind speed, and tends to decrease with increasing inflow turbulence intensity and cavity-bottom heating intensity. The time constant increases as the ambient wind direction becomes oblique. High ambient wind speed is found to be the most crucial factor for ventilating the cavity, thus improving air quality in an urban cubical cavity.

  20. Stress reduction of cubic boron nitride films by oxygen addition

    Energy Technology Data Exchange (ETDEWEB)

    Ye, J. [Forschungszentrum Karlsruhe, IMF I, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany)], E-mail:; Ulrich, S.; Ziebert, C.; Stueber, M. [Forschungszentrum Karlsruhe, IMF I, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany)


    Cubic boron nitride (c-BN) films with significantly reduced residual stresses were successfully grown onto silicon substrates by means of controlled oxygen addition into the films. The deposition was based on radio-frequency magnetron sputtering of a hexagonal boron nitride (h-BN) target, and was accomplished in a reactive mode using gas mixtures of argon, nitrogen, and oxygen at 0.3 Pa pressure, 400 deg. C growth temperature, and - 250 V substrate bias. Results of systematic investigations are shown in this article with respect to the critical influences of oxygen concentration during deposition upon the stress, cubic phase fraction, as well as nanohardness of the deposited films. Under the specified growth conditions, the formation of c-BN was generally completely hindered for oxygen concentrations above 1.5 vol.% in the gas mixture. At concentrations below approximately 1 vol.%, the added oxygen exhibits however marginal influences on the c-BN fraction, but on the other side a strong impact on the stress of the deposited films. Cubic-phase dominated films (containing 70-80 vol.% c-BN) with their compressive stress three times reduced were thus produced through careful control of oxygen fraction in the gas mixture, showing an excellent nanohardness of almost 60 GPa. For such films, a post-deposition thermal treatment at 900 deg. C led to an additional drastic stress reduction resulting in a final residual stress that is almost 10 times lower than that of as-deposited c-BN films without intentional oxygen addition.

  1. Cubic Phases, Cubosomes and Ethosomes for Cutaneous Application. (United States)

    Esposito, Elisabetta; Drechsler, Markus; Nastruzzi, Claudio; Cortesi, Rita


    Cutaneous administration represents a good strategy to treat skin diseases, avoiding side effects related to systemic administration. Apart from conventional therapy, based on the use of semi-solid formulation such as gel, ointments and creams, recently the use of specialized delivery systems based on lipid has been taken hold. This review provides an overview about the use of cubic phases, cubosomes and ethosomes, as lipid systems recently proposed to treat skin pathologies. In addition in the final part of the review cubic phases, cubosomes and ethosomes are compared to solid lipid nanoparticles and lecithin organogel with respect to their potential as delivery systems for cutaneous application. It has been reported that lipid nanosystems are able to dissolve and deliver active molecules in a controlled fashion, thereby improving their bioavailability and reducing side-effects. Particularly lipid matrixes are characterized by skin affinity and biocompatibility allowing their application on skin. Indeed, after cutaneous administration, the lipid matrix of cubic phases and cubosomes coalesces with the lipids of the stratum comeum and leads to the formation of a lipid depot from which the drug associated to the nanosystem can be released in the deeper skin strata in a controlled manner. Ethosomes are characterized by a malleable structure that promotes their interaction with skin, improving their potential as skin delivery systems with respect to liposomes. Also in the case of solid lipid nanoparticles it has been suggested a deep interaction between lipid matrix and skin strata that endorses sustained and prolonged drug release. Concerning lecithin organogel, the peculiar structure of this system, where lecithin exerts a penetration enhancer role, allows a deep interaction with skin strata, promoting the transdermal absorption of the encapsulated drugs.

  2. Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices. (United States)

    Cramer, M; Eisert, J; Illuminati, F


    We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices.

  3. Compressibility and thermal expansion of cubic silicon nitride

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Lindelov, H.; Gerward, Leif


    The compressibility and thermal expansion of the cubic silicon nitride (c-Si3N4) phase have been investigated by performing in situ x-ray powder-diffraction measurements using synchrotron radiation, complemented with computer simulations by means of first-principles calculations. The bulk...... compressibility of the c-Si3N4 phase originates from the average of both Si-N tetrahedral and octahedral compressibilities where the octahedral polyhedra are less compressible than the tetrahedral ones. The origin of the unit cell expansion is revealed to be due to the increase of the octahedral Si-N and N-N bond...

  4. C2-rational cubic spline involving tension parameters

    Indian Academy of Sciences (India)

    iИ1 ИfЕ122Y 128Ж; Е122Y 156Ж; Е150Y 184Ж; Е178Y 184Ж;. Е206Y 156Ж; Е206Y 128Ж; Е178Y 100Ж; Е150Y 100Ж;. Е122Y 72Ж; Е122Y 44Ж; Е150Y 16Ж; Е178Y 16Ж;. Е206Y 44Ж; Е206Y 72ЖgY we obtain the C2-rational cubic spline interpolant. Thus for different values of the tension parameters r and t, ...

  5. Evidence for cubic phase in deposited germanium nanocrystals

    CERN Document Server

    Bostedt, C; Plitzko, J M; Möller, T; Terminello, L J


    Germanium nanocrystals with sizes ranging from 1 to 5 nm are condensed out of the gas phase in helium or argon buffer-gas atmospheres and subsequently deposited. The generated particle sizes are found to depend on the buffer gas, with helium yielding a narrower size distribution than argon and argon exhibiting a stronger pressure dependence of the produced particle sizes. Structural analysis of nanoparticles with average sizes around 5 nm reveals the bulklike cubic (diamond) phase - in contrast to recent experiments which suggest the tetragonal phase for similar-sized particles. These results are explained in terms of particle formation dynamics.

  6. Tensor tomography of stresses in cubic single crystals

    Directory of Open Access Journals (Sweden)

    Dmitry D. Karov


    Full Text Available The possibility of optical tomography applying to investigation of a two-dimensional and a three-dimensional stressed state in single cubic crystals has been studied. Stresses are determined within the framework of the Maxwell piezo-optic law (linear dependence of the permittivity tensor on stresses and weak optical anisotropy. It is shown that a complete reconstruction of stresses in a sample is impossible both by translucence it in the parallel planes system and by using of the elasticity theory equations. For overcoming these difficulties, it is offered to use a method of magnetophotoelasticity.

  7. Rotary Ultrasonic Machining of Poly-Crystalline Cubic Boron Nitride

    Directory of Open Access Journals (Sweden)

    Kuruc Marcel


    Full Text Available Poly-crystalline cubic boron nitride (PCBN is one of the hardest material. Generally, so hard materials could not be machined by conventional machining methods. Therefore, for this purpose, advanced machining methods have been designed. Rotary ultrasonic machining (RUM is included among them. RUM is based on abrasive removing mechanism of ultrasonic vibrating diamond particles, which are bonded on active part of rotating tool. It is suitable especially for machining hard and brittle materials (such as glass and ceramics. This contribution investigates this advanced machining method during machining of PCBN.

  8. Four-dimensional black holes in Einsteinian cubic gravity (United States)

    Bueno, Pablo; Cano, Pablo A.


    We construct static and spherically symmetric generalizations of the Schwarzschild- and Reissner-Nordström-(anti-)de Sitter [RN-(A)dS] black-hole solutions in four-dimensional Einsteinian cubic gravity (ECG). The solutions are characterized by a single function which satisfies a nonlinear second-order differential equation. Interestingly, we are able to compute independently the Hawking temperature T , the Wald entropy S and the Abbott-Deser mass M of the solutions analytically as functions of the horizon radius and the ECG coupling constant λ . Using these we show that the first law of black-hole mechanics is exactly satisfied. Some of the solutions have positive specific heat, which makes them thermodynamically stable, even in the uncharged and asymptotically flat case. Further, we claim that, up to cubic order in curvature, ECG is the most general four-dimensional theory of gravity which allows for nontrivial generalizations of Schwarzschild- and RN-(A)dS characterized by a single function which reduce to the usual Einstein gravity solutions when the corresponding higher-order couplings are set to zero.

  9. String scattering amplitudes and deformed cubic string field theory (United States)

    Lai, Sheng-Hong; Lee, Jen-Chi; Lee, Taejin; Yang, Yi


    We study string scattering amplitudes by using the deformed cubic string field theory which is equivalent to the string field theory in the proper-time gauge. The four-string scattering amplitudes with three tachyons and an arbitrary string state are calculated. The string field theory yields the string scattering amplitudes evaluated on the world sheet of string scattering whereas the conventional method, based on the first quantized theory brings us the string scattering amplitudes defined on the upper half plane. For the highest spin states, generated by the primary operators, both calculations are in perfect agreement. In this case, the string scattering amplitudes are invariant under the conformal transformation, which maps the string world sheet onto the upper half plane. If the external string states are general massive states, generated by non-primary field operators, we need to take into account carefully the conformal transformation between the world sheet and the upper half plane. We show by an explicit calculation that the string scattering amplitudes calculated by using the deformed cubic string field theory transform into those of the first quantized theory on the upper half plane by the conformal transformation, generated by the Schwarz-Christoffel mapping.

  10. Elastic properties of cubic crystals: Every's versus Blackman's diagram (United States)

    Paszkiewicz, T.; Wolski, S.


    Blackman's diagram of two dimensionless ratios of elastic constants is frequently used to correlate elastic properties of cubic crystals with interatomic bondings. Every's diagram of a different set of two dimensionless variables was used by us for classification of various properties of such crystals. We compare these two ways of characterization of elastic properties of cubic materials and consider the description of various groups of materials, e.g. simple metals, oxides, and alkali halides. With exception of intermediate valent compounds, the correlation coefficients for Every's diagrams of various groups of materials are greater than for Blackaman's diagrams, revealing the existence of a linear relationship between two dimensionless Every's variables. Alignment of elements and compounds along lines of constant Poisson's ratio v(lang100rang, m), (m arbitrary perpendicular to lang100rang) is observed. Division of the stability region in Blackman's diagram into region of complete auxetics, auxetics and non-auxetics is introduced. Correlations of a scaling and an acoustic anisotropy parameter are considered.

  11. Mixed convection in a double lid-driven cubic cavity

    Energy Technology Data Exchange (ETDEWEB)

    Nasreddine, Ouertatania; Nader, Ben Cheikha; Brahim, Ben Beyaa; Taieb, Lilia [Faculte des Sciences de Tunis, Dept. de Physique (Tunisia); Campo, A. [University of Texas at San Antonio, Dept. of Mechanical Engineering, San Antonio, TX (United States)


    To study the intricate three-dimensional flow structures and the companion heat transfer rates in double lid-driven cubic cavity heated from the top and cooled from below, a numerical methodology based on the finite volume method and a full multigrid acceleration is utilized in this paper. The four remaining walls forming the cubic cavity are adiabatic. The working fluid is air so that the Prandtl number equates to 0.71. Numerical solutions are generated for representative combinations of the controlling Reynolds number inside 100 {<=} Re {<=} 1000 and the Richardson numbers inside 0.001 {<=} Ri {<=} 10. Typical sets of streamlines and isotherms are presented to analyze the tortuous circulatory flow patterns set up by the competition between the forced flow created by the double driven walls and the buoyancy force of the fluid. For extreme combinations of high Ri and low Re, the heat transfer is essentially dominated by conduction. On the other hand, for extreme combinations of small Ri and high Re, the heat transfer becomes convective dominating. Numerical values of the overall Nusselt number in harmony with the Re- and Ri-intervals are presented and they are compared afterward against the standard case of a single lid driven cavity. It is discovered that a remarkable heat transfer improvement of up to 76% can be reached for the particular combination of Re=400 and Ri=1. (authors)

  12. Experimental investigation on water flow in cubic arrays of spheres (United States)

    Huang, K.; Wan, J. W.; Chen, C. X.; He, L. Q.; Mei, W. B.; Zhang, M. Y.


    One-dimensional uniform flow in homogeneous porous media was experimentally investigated. Head drop experiments were conducted in four test tubes with cubic arrays of spheres in diameter 3 mm, 5 mm, 8 mm and 10 mm. The experimental results indicate that Darcy’s law should be an approximate expression by neglecting the inertial term for flow at low velocity. Nonlinearity is attributed to inertial term in porous medium before the turbulent flow emerges. Forchheimer equation with constant coefficients can well predict the flow in porous medium. The relationship between the diameter of the particles and the coefficients a and b in the equations were verified. Different Ergun type equations were used to predict the head drop and compared to the experimental data. It shows that the Irmay equation could well predict the fluid flow in cubic arrays of spheres, while the prediction of head drop by Ergun equation was much higher than observed data. It indicates that the coefficients α and β in the Ergun type equations have certain relations with porosity or the pore structure and would vary for different medium. The discontinuity observed was interpreted by transition from steady flow to weakly turbulence and compared with previous studies.

  13. On a family of cubic graphs containing the flower snarks

    CERN Document Server

    Fouquet, Jean-Luc; Vanherpe, Jean-Marie


    We consider cubic graphs formed with $k \\geq 2$ disjoint claws $C_i \\sim K_{1, 3}$ ($0 \\leq i \\leq k-1$) such that for every integer $i$ modulo $k$ the three vertices of degree 1 of $\\ C_i$ are joined to the three vertices of degree 1 of $C_{i-1}$ and joined to the three vertices of degree 1 of $C_{i+1}$. Denote by $t_i$ the vertex of degree 3 of $C_i$ and by $T$ the set $\\{t_1, t_2,..., t_{k-1}\\}$. In such a way we construct three distinct graphs, namely $FS(1,k)$, $FS(2,k)$ and $FS(3,k)$. The graph $FS(j,k)$ ($j \\in \\{1, 2, 3\\}$) is the graph where the set of vertices $\\cup_{i=0}^{i=k-1}V(C_i) \\setminus T$ induce $j$ cycles (note that the graphs $FS(2,2p+1)$, $p\\geq2$, are the flower snarks defined by Isaacs \\cite{Isa75}). We determine the number of perfect matchings of every $FS(j,k)$. A cubic graph $G$ is said to be {\\em 2-factor hamiltonian} if every 2-factor of $G$ is a hamiltonian cycle. We characterize the graphs $FS(j,k)$ that are 2-factor hamiltonian (note that FS(1,3) is the "Triplex Graph" of Robe...

  14. Symmetry group of an impenetrable cubic well potential (United States)

    Hernández-Castillo, A. O.; Lemus, R.


    When the symmetry group of a quantum particle in an impenetrable cubic well potential is considered to be the O_h group, systematic accidental degeneracy appears. This degeneracy becomes natural when a new symmetry group, embedding the O_h group, is proposed. This new group turns out to be the semidirect product G=T \\wedge O_h, where T is a two-dimensional compact continuous group whose generators correspond to linear combinations of the one-dimensional Hamiltonians. The systematic degeneracy is studied in detail, the new group is identified and its irreducible representations are constructed by means of induction, an approach that allows the irreducibility and completeness to be assured. Similar to the hydrogen atom, we establish a one-to-one reciprocation between the energy and the new group irreducible representations. The impenetrable rectangular and square boxes are also analyzed as a reduction of symmetry from the cubic system. Pythagorean degeneracy as well as that due to commensurable sides is not considered.

  15. Doping control in sport

    DEFF Research Database (Denmark)

    Overbye, Marie Birch


    Doping testing is a key component enforced by anti-doping authorities to detect and deter doping in sport. Policy is developed to protect athletes' right to participate in doping-free sport; and testing is a key tool to secure this right. Accordingly, athletes' responses to anti-doping efforts.......e., the efforts of stakeholders involved in testing) in their own sport both nationally and worldwide. Moreover, it seeks to identify whether specific factors such as previous experience of testing and perceived proximity of doping have an impact on athletes' perceptions of the testing system. The study comprises...... a web-based questionnaire (N = 645; response rate 43%) and uses qualitative findings to elaborate on and explain quantitative results. Results showed that two-thirds of the athletes reported the national testing programme in their sport to be appropriate. A majority of the athletes who had an opinion...

  16. Synthesis and structure of undoped and indium-doped thermoelectric lead telluride nanoparticles (United States)

    Kadel, Kamal; Kumari, Latha; Wang, Xuewen; Li, Wenzhi; Huang, Jian Yu; Provencio, Paula Polyak


    Undoped and indium (In)-doped lead telluride (PbTe) nanostructures were synthesized via solvothermal/hydrothermal route. The crystalline structure of the as-prepared undoped and In-doped PbTe samples was examined by X-ray diffraction (XRD) which indicated the formation of face-centered single-phase cubic crystal. A first principle calculation on indium doping shows that the indium atoms are more likely to replace lead (Pb) rather than to take the interstitial sites. Laser-induced breakdown spectroscopy (LIBS) analysis confirms that indium is incorporated into the PbTe matrix of the indium-doped PbTe samples. The effects of surfactant and synthesis temperature on the structure and morphology of the undoped PbTe were also investigated; it was found that PbTe nanostructures synthesized with the addition of surfactants exhibited uniform shapes and their size increased with the synthesis temperature.

  17. Polarization induced doped transistor (United States)

    Xing, Huili; Jena, Debdeep; Nomoto, Kazuki; Song, Bo; Zhu, Mingda; Hu, Zongyang


    A nitride-based field effect transistor (FET) comprises a compositionally graded and polarization induced doped p-layer underlying at least one gate contact and a compositionally graded and doped n-channel underlying a source contact. The n-channel is converted from the p-layer to the n-channel by ion implantation, a buffer underlies the doped p-layer and the n-channel, and a drain underlies the buffer.

  18. Synthesis from separate oxide targets of high quality La2-xSrxCuO4 thin films and dependence with doping of their superconducting transition width (United States)

    Cotón, N.; Mercey, B.; Mosqueira, J.; Ramallo, M. V.; Vidal, F.


    A series of superconducting La2-xSrxCuO4 thin films, with 0.09 ≲ x ≲ 0.22, is grown over (100)SrTiO3 substrates by means of a novel pulsed laser deposition method devised to increase the homogeneity and control of doping. We employ two separate parent oxide targets that receive ablation shots at arbitrary computer-controlled relative rates, instead of the conventional procedure that uses a single target whose doping determines the one of the film. We characterize the films both through conventional techniques (XRD, SEM, AFM and EDX) and by measuring their superconducting transition with a high-sensitivity SQUID magnetometer. The latter allows one to determine not only their average critical temperatures {\\bar {T}}_{{c}}(x) but also their dispersions due to inhomogeneities, ΔTc(x). For {\\bar {T}}_{{c}}(x) we obtain the conventional parabolic law centered at x = 0.16, plus a Gaussian depression near x = 1/8 with a {\\bar {T}}_{{c}}-height of about 5 K and x-width about 0.03. For ΔTc(x) we obtain, for all the dopings, values among the lowest reported up to now for La2-xSrxCuO4. The ΔTc(x) dependence can be explained in terms of the unavoidable randomness of the positioning of the Sr ions (the so-called intrinsic chemical inhomogeneity) and a separate residual Tc-inhomogeneity contribution of the order of 0.5 K, this last associated with the samples’ structural inhomogeneities and films’ substrate.

  19. Inter- and intraband transitions in cubic nitride quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, S.C.P. [Sao Paulo Univ. (Brazil). Inst. de Fisica de Sao Carlos; Sao Paulo Univ. (Brazil). Inst. de Fisica; Sipahi, G.M. [Sao Paulo Univ. (Brazil). Inst. de Fisica de Sao Carlos; Scolfaro, L.M.R.; Noriega, O.C.; Leite, J.R. [Sao Paulo Univ. (Brazil). Inst. de Fisica; Frey, T.; As, D.J.; Schikora, D.; Lischka, K. [Paderborn Univ. (Gesamthochschule) (Germany). Fachbereich 6 - Physik


    In this work we analyze the luminescence emissions from selected isolated GaN/InGaN quantum wells comparing measured and theoretical photoluminescence (PL) spectra. The calculations are performed within the k.p method by means of an 8 x 8 Kane Hamiltonian, generalized to treat different materials. Strain effects due to the large lattice mismatch between InN and GaN are taken into account. From the direct comparison with experimental results, we found evidence for transitions involving confined levels which, besides those related to quantum dots, may be ascribed to the first electron-heavy-hole transition in the quantum wells. Since the studies of optical properties of quantum wells based on cubic nitrides are at an early stage, the results reported here will provide guidelines for the interpretation of forthcoming experiments. (orig.)

  20. Surface irregularities of MBE grown cubic GaN layers (United States)

    Lima, A. P.; Frey, T.; Köhler, U.; Wang, C.; As, D. J.; Schöttker, B.; Lischka, K.; Schikora, D.


    Cubic GaN layers are grown by molecular beam epitaxy on (0 0 1)GaAs substrates. The influence of intentional deviations from stoichiometric growth conditions on the structural homogeneity of the epitaxial layers and the GaN/GaAs interface was studied. Optical micrographs and AFM-images of the epilayers grown in a Ga-stabilised regime reveal the existence of different types of surface irregularities. We conclude that the irregularities observed are the result of successively melt-back etching in GaN and GaAs and solution growth within Ga-droplets due to the change of the saturation conditions of the liquid Ga-phase on the surface of the growing film.

  1. Linear electro-optic effect in cubic silicon carbide (United States)

    Tang, Xiao; Irvine, Kenneth G.; Zhang, Dongping; Spencer, Michael G.


    The first observation is reported of the electrooptic effect of cubic silicon carbide (beta-SiC) grown by a low-pressure chemical vapor deposition reactor using the hydrogen, silane, and propane gas system. At a wavelength of 633 nm, the value of the electrooptic coefficient r41 in beta-SiC is determined to be 2.7 +/- 0.5 x 10 (exp-12) m/V, which is 1.7 times larger than that in gallium arsenide measured at 10.6 microns. Also, a half-wave voltage of 6.4 kV for beta-SiC is obtained. Because of this favorable value of electrooptic coefficient, it is believed that silicon carbide may be a promising candidate in electrooptic applications for high optical intensity in the visible region.

  2. Quantum corrections for the cubic Galileon in the covariant language (United States)

    Saltas, Ippocratis D.; Vitagliano, Vincenzo


    We present for the first time an explicit exposition of quantum corrections within the cubic Galileon theory including the effect of quantum gravity, in a background- and gauge-invariant manner, employing the field-reparametrisation approach of the covariant effective action at 1-loop. We show that the consideration of gravitational effects in combination with the non-linear derivative structure of the theory reveals new interactions at the perturbative level, which manifest themselves as higher-operators in the associated effective action, which' relevance is controlled by appropriate ratios of the cosmological vacuum and the Galileon mass scale. The significance and concept of the covariant approach in this context is discussed, while all calculations are explicitly presented.

  3. A cubic autocatalytic reaction in a continuous stirred tank reactor

    Energy Technology Data Exchange (ETDEWEB)

    Yakubu, Aisha Aliyu; Yatim, Yazariah Mohd [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang Malaysia (Malaysia)


    In the present study, the dynamics of the cubic autocatalytic reaction model in a continuous stirred tank reactor with linear autocatalyst decay is studied. This model describes the behavior of two chemicals (reactant and autocatalyst) flowing into the tank reactor. The behavior of the model is studied analytically and numerically. The steady state solutions are obtained for two cases, i.e. with the presence of an autocatalyst and its absence in the inflow. In the case with an autocatalyst, the model has a stable steady state. While in the case without an autocatalyst, the model exhibits three steady states, where one of the steady state is stable, the second is a saddle point while the last is spiral node. The last steady state losses stability through Hopf bifurcation and the location is determined. The physical interpretations of the results are also presented.

  4. Cubic nonlinear Schrödinger equation with vorticity (United States)

    Caliari, M.; Loffredo, M. I.; Morato, L. M.; Zuccher, S.


    In this paper, we introduce a new class of nonlinear Schrödinger equations (NLSEs), with an electromagnetic potential (\\mathcal A,\\Phi) , both depending on the wavefunction Ψ. The scalar potential Φ depends on |Ψ|2, whereas the vector potential \\mathcal A satisfies the equation of magnetohydrodynamics with coefficient depending on Ψ. In Madelung variables, the velocity field comes to be not irrotational in general and we prove that the vorticity induces dissipation, until the dynamical equilibrium is reached. The expression of the rate of dissipation is common to all NLSEs in the class. We show that they are a particular case of the one-particle dynamics out of dynamical equilibrium for a system of N identical interacting Bose particles, as recently described within stochastic quantization by Lagrangian variational principle. The cubic case is discussed in particular. Results of numerical experiments for rotational excitations of the ground state in a finite two-dimensional trap with harmonic potential are reported.

  5. The electric field of a uniformly charged cubic shell (United States)

    McCreery, Kaitlin; Greenside, Henry


    As an integrative and insightful example for undergraduates learning about electrostatics, we discuss how to use symmetry, Coulomb's law, superposition, Gauss's law, and visualization to understand the electric field E (x ,y ,z ) produced by a uniformly charged cubic shell. We first discuss how to deduce qualitatively, using freshman-level physics, the perhaps surprising fact that the interior electric field is nonzero and has a complex structure, pointing inwards from the middle of each face of the shell and pointing outwards towards each edge and corner. We then discuss how to understand the quantitative features of the electric field by plotting an analytical expression for E along symmetry lines and on symmetry surfaces of the shell.

  6. Photonic band gaps in body-centered-cubic structures (United States)

    Hornreich, R. M.; Shtrikman, S.; Sommers, C.


    Photonic energy bands in body-centered-cubic bcc materials are analyzed by considering structures having O8 (I4132) space-group symmetry. Such structures can be realized physically by interlacing cylindrical elements oriented along crystallographic axes. In addition to heterogeneous systems composed entirely of dielectric materials, the possibility of using conducting materials (particularly at microwave frequencies) is studied. We find that (a) band gaps occur in heterogeneous dielectric systems when materials having a dielectric constant of 100 or more are properly placed in the O8 unit cell, and (b) utilizing conducting materials can significantly widen the excluded frequency band, the result being that band gaps of more than 20% should be attainable with O8 structures at microwave frequencies. Experimental verification of these results should be possible in this spectral region.

  7. Spatial 't Hooft loop to cubic order in hot QCD

    CERN Document Server

    Giovannangeli, P.


    Spatial 't Hooft loops of strength k measure the qualitative change in the behaviour of electric colour flux in confined and deconfined phase of SU (N) gauge theory. They show an area law in the deconfined phase, known analytica lly to two loop order with a ``k-scaling'' law k(N-k). In this paper we comput e the O(g^3) correction to the tension. It is due to neutral gluon fields that get their mass through interaction with the wall. The simple k-scaling is lost in cubic order. The generic problem of non-convexity shows up in this order an d the cure is provided. The result for large N is explicitely given. We show tha t nonperturbative effects appear at O(g^5).

  8. Bounce universe and black holes from critical Einsteinian cubic gravity (United States)

    Feng, Xing-Hui; Huang, Hyat; Mai, Zhan-Feng; Lü, Hong


    We show that there exists a critical point for the coupling constants in Einsteinian cubic gravity in which the linearized equations on the maximally symmetric vacuum vanish identically. We construct an exact isotropic bounce universe in the critical theory in four dimensions. The comoving time runs from minus infinity to plus infinity, yielding a smooth universe bouncing between two de Sitter vacua. In five dimensions, we adopt a numerical approach to construct a bounce solution, in which a singularity occurs before the bounce takes place. We then construct exact anisotropic bounces that connect two isotropic de Sitter spacetimes with flat spatial sections. We further construct exact anti-de Sitter black holes in the critical theory in four and five dimensions and obtain an exact anti-de Sitter worm brane in four dimensions.

  9. Perbaikan Metode Penghitungan Debit Sungai Menggunakan Cubic Spline Interpolation

    Directory of Open Access Journals (Sweden)

    Budi I. Setiawan


    Full Text Available Makalah ini menyajikan perbaikan metode pengukuran debit sungai menggunakan fungsi cubic spline interpolation. Fungi ini digunakan untuk menggambarkan profil sungai secara kontinyu yang terbentuk atas hasil pengukuran jarak dan kedalaman sungai. Dengan metoda baru ini, luas dan perimeter sungai lebih mudah, cepat dan tepat dihitung. Demikian pula, fungsi kebalikannnya (inverse function tersedia menggunakan metode. Newton-Raphson sehingga memudahkan dalam perhitungan luas dan perimeter bila tinggi air sungai diketahui. Metode baru ini dapat langsung menghitung debit sungaimenggunakan formula Manning, dan menghasilkan kurva debit (rating curve. Dalam makalah ini dikemukaan satu canton pengukuran debit sungai Rudeng Aceh. Sungai ini mempunyai lebar sekitar 120 m dan kedalaman 7 m, dan pada saat pengukuran mempunyai debit 41 .3 m3/s, serta kurva debitnya mengikuti formula: Q= 0.1649 x H 2.884 , dimana Q debit (m3/s dan H tinggi air dari dasar sungai (m.

  10. Diamond and Cubic Boron Nitride: Properties, Growth and Applications (United States)

    Soltani, A.; Talbi, A.; Mortet, V.; BenMoussa, A.; Zhang, W. J.; Gerbedoen, J.-C.; De Jaeger, J.-C.; Gokarna, A.; Haenen, K.; Wagner, P.


    Since their first synthesis, cubic boron nitride (c-BN) and diamond thin films have triggered a vivid interest in these wide band gap materials for many different applications. Because of superior properties, c-BN and diamond can be applied in optic, electronic and acoustic for high performances devices. In this discussion, we first describe briefly the properties of c-BN and diamond and we review both the growth techniques and the progresses achieved in the synthesis of c-BN and diamond, and in a second part, characteristics of new c-BN and diamond UV detectors for solar observation are reported. These photo-detectors present extremely low dark current, high breakdown voltage, high responsivity and stability under UV irradiation. Finally, diamond based acoustic devices and sensors are presented. High frequency acoustic wave devices can be design for high frequency filtering or sensing applications. Diamond/AlN micro-cantilevers are excellent platform for sensor applications.

  11. Modelling gravity on a hyper-cubic lattice

    CERN Document Server

    Tate, Kyle


    We present an elegant and simple dynamical model of symmetric, non-degenerate (n x n) matrices of fixed signature defined on a n-dimensional hyper-cubic lattice with nearest-neighbor interactions. We show how this model is related to General Relativity, and discuss multiple ways in which it can be useful for studying gravity, both classical and quantum. In particular, we show that the dynamics of the model when all matrices are close to the identity corresponds exactly to a finite-difference discretization of weak-field gravity in harmonic gauge. We also show that the action which defines the full dynamics of the model corresponds to the Einstein-Hilbert action to leading order in the lattice spacing, and use this observation to define a lattice analogue of the Ricci scalar and Einstein tensor. Finally, we perform a mean-field analysis of the statistical mechanics of this model.

  12. Topologically correct cortical segmentation using Khalimsky's cubic complex framework (United States)

    Cardoso, Manuel J.; Clarkson, Matthew J.; Modat, Marc; Talbot, Hugues; Couprie, Michel; Ourselin, Sébastien


    Automatic segmentation of the cerebral cortex from magnetic resonance brain images is a valuable tool for neuroscience research. Due to the presence of noise, intensity non-uniformity, partial volume effects, the limited resolution of MRI and the highly convoluted shape of the cerebral cortex, segmenting the brain in a robust, accurate and topologically correct way still poses a challenge. In this paper we describe a topologically correct Expectation Maximisation based Maximum a Posteriori segmentation algorithm formulated within the Khalimsky cubic complex framework, where both the solution of the EM algorithm and the information derived from a geodesic distance function are used to locally modify the weighting of a Markov Random Field and drive the topology correction operations. Experiments performed on 20 Brainweb datasets show that the proposed method obtains a topologically correct segmentation without significant loss in accuracy when compared to two well established techniques.

  13. Lipidic cubic phase serial millisecond crystallography using synchrotron radiation

    Directory of Open Access Journals (Sweden)

    Przemyslaw Nogly


    Full Text Available Lipidic cubic phases (LCPs have emerged as successful matrixes for the crystallization of membrane proteins. Moreover, the viscous LCP also provides a highly effective delivery medium for serial femtosecond crystallography (SFX at X-ray free-electron lasers (XFELs. Here, the adaptation of this technology to perform serial millisecond crystallography (SMX at more widely available synchrotron microfocus beamlines is described. Compared with conventional microcrystallography, LCP-SMX eliminates the need for difficult handling of individual crystals and allows for data collection at room temperature. The technology is demonstrated by solving a structure of the light-driven proton-pump bacteriorhodopsin (bR at a resolution of 2.4 Å. The room-temperature structure of bR is very similar to previous cryogenic structures but shows small yet distinct differences in the retinal ligand and proton-transfer pathway.

  14. Computation of L ⊕ for several cubic Pisot numbers

    Directory of Open Access Journals (Sweden)

    Julien Bernat


    Full Text Available In this article, we are dealing with β-numeration, which is a generalization of numeration in a non-integer base. We consider the class of simple Parry numbers such that d β (1 = 0.k 1 d-1  k d with d ∈ ℕ, d ≥ 2 and k 1  ≥ k d  ≥ 1. We prove that these elements define Rauzy fractals that are stable under a central symmetry. We use this result to compute, for several cases of cubic Pisot units, the maximal length among the lengths of the finite β-fractional parts of sums of two β-integers, denoted by L ⊕. In particular, we prove that L ⊕  = 5 in the Tribonacci case.

  15. Preparation and pharmacokinetic study of fenofibrate cubic liquid crystalline

    Directory of Open Access Journals (Sweden)

    Shijie Wei


    Full Text Available An LCC delivery system for Fenofibrate (Fen was developed to improve its poorly oral bioavailability. Fen-LCC preparation methods were screened, and the prepared Fen-LCC was then characterized by a polarizing microscope and transmission electron microscopy (TEM. The spray drying technique was selected to dry and solidify particles into powder. The in vitro release of Fen-LCC was measured and in vivo pharmacokinetic experiments were carried out on rats after oral administration. Particles prepared through the high-temperature input method exhibited structural characteristics of LCC, and re-dissolved particles maintained the same features. The LCC delivery system can significantly improve in vitro release outcomes. After oral administration, AUCs of the suspension and LCC systems were measured at 131.6853 µg⋅h/ml and 1435.72893 µg⋅h/ml, respectively. The spray drying process presented here better maintains cubic structures, and the LCC system significantly improves bioavailability levels.

  16. Ethanol gas sensing by Zn-doped CdS/CdTe nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Prabhu, M., E-mail:; Manikandan, V. S.; Soundararajan, N.; Ramachandran, K. [School of Physics, Madurai Kamaraj University, Madurai – 625 021 (India)


    Zn-doped CdS/CdTe nanoparticles (NPs) were synthesized and studied here for gas sensing. The crystallographic properties of the samples were studied by X-ray diffraction (XRD), which shows cubic structure for CdS and CdTe NPs. The three longitudinal optical phonon modes at 298, 595 and 895 cm{sup −1} were obtained from Raman spectrum and this also reveals the cubic structure of CdS NPs. The band gap for Zn-doped CdS/CdTe NPs increased slightly when compared with pure sample. The ethanol gas sensing in CdS/CdTe NPs shows an enhancement on Zn substitution.

  17. To dope or not to dope

    DEFF Research Database (Denmark)

    Overbye, Marie Birch; Knudsen, Mette Lykke; Pfister, Gertrud Ursula


    tAim: This study aims to examine the circumstances which athletes say affect their (hypothetical) consid-erations of whether to dope or not and explore the differences between athletes of different gender, ageand sport type.Methods: 645 elite athletes (mean age: 22.12; response rate: 43%) represe......tAim: This study aims to examine the circumstances which athletes say affect their (hypothetical) consid-erations of whether to dope or not and explore the differences between athletes of different gender, ageand sport type.Methods: 645 elite athletes (mean age: 22.12; response rate: 43......%) representing 40 sports completed aweb-based questionnaire. Participants were asked to imagine themselves in a situation in which theyhad to decide whether to dope or not to dope and then evaluate how different circumstances would affecttheir decisions.Results: Multiple circumstances had an effect on athletes......’ hypothetical decisions. The most effective deter-rents were related to legal and social sanctions, side-effects and moral considerations. Female athletesand younger athletes evaluated more reasons as deterrents than older, male athletes. When confrontedwith incentives to dope, the type of sport was often...

  18. Indium doped niobium phosphates as intermediate temperature proton conductors

    DEFF Research Database (Denmark)

    Huang, Yunjie; Li, Qingfeng; Anfimova, Tatiana


    that the indium doping promoted formation of the cubic Nb2P4O15 phase instead of the monoclinic Nb5P7O30 phase in the pristine niobium phosphates and enhanced the preservation of OH functional groups in the phosphates. The preserved OH functionalities in the phosphates after the heat treatment at 650 °C...... contributed to the anhydrous proton conductivity. The Nb0.9In0.1 phosphate exhibited a proton conductivity of five times higher than that of the un-doped analog at 250 °C. The conductivity was stabilized at a level of above 0.02 S cm−1 under dry atmosphere at 250 °C during the stability evaluation for 3 days....

  19. [Doping and sports]. (United States)

    Lippi, G; Guidi, G


    Doping is widely known as the use of banned substances and practices by athletes in an attempt to improve sporting performances. The term doping likely derives from "dope", an ancient expression referred to a primitive alcoholic drink that was used as a stimulant in South African ceremonial dances; gradually, the term was extended and finally adopted his current significance. There are at least two essential reasons to support the fight against doping: the potential harmful effects on athletes and the depth corruption of the fair competition. An exhaustive list of banned substances and methods has been drawn by the International Olympic Committee and further accepted by other International Sport Authorities and Federations. This list, regularly updated, is basically divided into doping substances (stimulants, narcotic analgesics, anabolic agents, diuretics, peptide and glycoprotein hormones and analogues), doping methods (blood doping, pharmacological, chemical and physical manipulation) and drugs subjected to certain restrictions (alcohol, marijuana, local anesthetics, corticosteroids and beta-blockers). Although there might be some medical conditions, which could legitimate the need of these substances or methods, there is no place for their use in sport. Thus, an athlete's consume of any of these substances or methods will result in disqualification. Aim of the present review is to provide a synthetic description of both the desirable effects and the potentially harmful consequences of the use of some of the major doping substances and methods.

  20. Effect of Gd doping and O deficiency on the Curie temperature of EuO

    KAUST Repository

    Jutong, Nuttachai


    The effect of Gd doping and O deficiency on the electronic structure, exchange interaction, and Curie temperature of EuO in the cubic and tetragonal phases is studied by means of density functional theory. For both defects, the Curie temperature is found to exhibit a distinct maximum as a function of the defect concentration. The existence of optimal defect concentrations is explained by the interplay of the on-site, RKKY, and superexchange contributions to the magnetism.