Sample records for metal insulator transition

  1. Metal-insulator transition in vanadium dioxide

    International Nuclear Information System (INIS)

    Zylbersztejn, A.; Mott, N.F.


    The basic physical parameters which govern the metal-insulator transition in vanadium dioxide are determined through a review of the properties of this material. The major importance of the Hubbard intra-atomic correlation energy in determining the insulating phase, which was already evidence by studies of the magnetic properties of V 1 -/subx/Cr/subx/O 2 alloys, is further demonstrated from an analysis of their electrical properties. An analysis of the magnetic susceptibility of niobium-doped VO 2 yields a picture for the current carrier in the low-temperature phase in which it is accompanied by a spin cloud (owing to Hund's-rule coupling), and has therefore an enhanced mass (m approx. = 60m 0 ). Semiconducting vanadium dioxide turns out to be a borderline case for a classical band-transport description; in the alloys at high doping levels, Anderson localization with hopping transport can take place. Whereas it is shown that the insulating phase cannot be described correctly without taking into account the Hubbard correlation energy, we find that the properties of the metallic phase are mainly determined by the band structure. Metallic VO 2 is, in our view, similar to transition metals like Pt or Pd: electrons in a comparatively wide band screening out the interaction between the electrons in a narrow overlapping band. The magnetic susceptibility is described as exchange enhanced. The large density of states at the Fermi level yields a substantial contribution of the entropy of the metallic electrons to the latent heat. The crystalline distortion removes the band degeneracy so that the correlation energy becomes comparable with the band width and a metal-insulator transition takes place

  2. Metal Insulator transition in Vanadium Dioxide (United States)

    Jovaini, Azita; Fujita, Shigeji; Suzuki, Akira; Godoy, Salvador


    MAR12-2011-000262 Abstract Submitted for the MAR12 Meeting of The American Physical Society Sorting Category: 03.9 (T) On the metal-insulator-transition in vanadium dioxide AZITA JOVAINI, SHIGEJI FUJITA, University at Buffalo, SALVADOR GODOY, UNAM, AKIRA SUZUKI, Tokyo University of Science --- Vanadium dioxide (VO2) undergoes a metal-insulator transition (MIT) at 340 K with the structural change from tetragonal to monoclinic crystal. The conductivity _/ drops at MIT by four orders of magnitude. The low temperature monoclinic phase is known to have a lower ground-state energy. The existence of the k-vector k is prerequisite for the conduction since the k appears in the semiclassical equation of motion for the conduction electron (wave packet). The tetragonal (VO2)3 unit is periodic along the crystal's x-, y-, and z-axes, and hence there is a three-dimensional k-vector. There is a one-dimensional k for a monoclinic crystal. We believe this difference in the dimensionality of the k-vector is the cause of the conductivity drop. Prefer Oral Session X Prefer .

  3. Reentrant Metal-Insulator Transitions in Silicon - (United States)

    Campbell, John William M.

    This thesis describes a study of reentrant metal -insulator transitions observed in the inversion layer of extremely high mobility Si-MOSFETs. Magneto-transport measurements were carried out in the temperature range 20mK-4.2 K in a ^3He/^4 He dilution refrigerator which was surrounded by a 15 Tesla superconducting magnet. Below a melting temperature (T_{M}~500 mK) and a critical electron density (n_{s }~9times10^{10} cm^{-2}), the Shubnikov -de Haas oscillations in the diagonal resistivity enormous maximum values at the half filled Landau levels while maintaining deep minima corresponding to the quantum Hall effect at filled Landau levels. At even lower electron densities the insulating regions began to spread and eventually a metal-insulator transition could be induced at zero magnetic field. The measurement of extremely large resistances in the milliKelvin temperature range required the use of very low currents (typically in the 10^ {-12} A range) and in certain measurements minimizing the noise was also a consideration. The improvements achieved in these areas through the use of shielding, optical decouplers and battery operated instruments are described. The transport signatures of the insulating state are considered in terms of two basic mechanisms: single particle localization with transport by variable range hopping and the formation of a collective state such as a pinned Wigner crystal or electron solid with transport through the motion of bound dislocation pairs. The experimental data is best described by the latter model. Thus the two dimensional electron system in these high mobility Si-MOSFETs provides the first and only experimental demonstration to date of the formation of an electron solid at zero and low magnetic fields in the quantum limit where the Coulomb interaction energy dominates over the zero point oscillation energy. The role of disorder in favouring either single particle localization or the formation of a Wigner crystal is explored by

  4. Unusual metal-insulator transition in disordered ferromagnetic films

    International Nuclear Information System (INIS)

    Muttalib, K.A.; Wölfle, P.; Misra, R.; Hebard, A.F.


    We present a theoretical interpretation of recent data on the conductance near and farther away from the metal-insulator transition in thin ferromagnetic Gd films of thickness b≈2-10 nm. For increasing sheet resistances a dimensional crossover takes place from d=2 to d=3 dimensions, since the large phase relaxation rate caused by scattering of quasiparticles off spin wave excitations renders the dephasing length L φ ≲b at strong disorder. The conductivity data in the various regimes obey fractional power-law or logarithmic temperature dependence. One observes weak localization and interaction induced corrections at weaker disorder. At strong disorder, near the metal-insulator transition, the data show scaling and collapse onto two scaling curves for the metallic and insulating regimes. We interpret this unusual behavior as proof of two distinctly different correlation length exponents on both sides of the transition.

  5. Bias-induced insulator-metal transition in organic electronics (United States)

    Wei, J. H.; Xie, S. J.; Mei, L. M.; Yan, YiJing


    The authors investigate the bias-induced insulator-metal transition in organic electronics devices on the basis of the Su-Schrieffer-Heeger model [W. P. Su et al., Phys. Rev. B 22, 2099 (1980)] combined with the nonequilibrium Green's function formalism. The insulator-metal transition is explained with the energy level crossover that eliminates the Peierls phase [R. Peierls, Quantum Theory of Solids (Oxford University Press, Oxford, 1955)] and delocalizes the electron states near the threshold voltage. This may account for the experimental observations on the devices that exhibit intrinsic bistable conductance switching with large on-off ratio.

  6. Harnessing the metal-insulator transition for tunable metamaterials (United States)

    Charipar, Nicholas A.; Charipar, Kristin M.; Kim, Heungsoo; Bingham, Nicholas S.; Suess, Ryan J.; Mathews, Scott A.; Auyeung, Raymond C. Y.; Piqué, Alberto


    The control of light-matter interaction through the use of subwavelength structures known as metamaterials has facilitated the ability to control electromagnetic radiation in ways not previously achievable. A plethora of passive metamaterials as well as examples of active or tunable metamaterials have been realized in recent years. However, the development of tunable metamaterials is still met with challenges due to lack of materials choices. To this end, materials that exhibit a metal-insulator transition are being explored as the active element for future metamaterials because of their characteristic abrupt change in electrical conductivity across their phase transition. The fast switching times (▵t properties associated with thin film metal-insulator transition materials are strongly dependent on the growth conditions. For this work, we have studied how growth conditions (such as gas partial pressure) influence the metalinsulator transition in VO2 thin films made by pulsed laser deposition. In addition, strain engineering during the growth process has been investigated as a method to tune the metal-insulator transition temperature. Examples of both the optical and electrical transient dynamics facilitating the metal-insulator transition will be presented together with specific examples of thin film metamaterial devices.

  7. Disorder-Driven Metal-Insulator Transitions in Deformable Lattices. (United States)

    Di Sante, Domenico; Fratini, Simone; Dobrosavljević, Vladimir; Ciuchi, Sergio


    We show that, in the presence of a deformable lattice potential, the nature of the disorder-driven metal-insulator transition is fundamentally changed with respect to the noninteracting (Anderson) scenario. For strong disorder, even a modest electron-phonon interaction is found to dramatically renormalize the random potential, opening a mobility gap at the Fermi energy. This process, which reflects disorder-enhanced polaron formation, is here given a microscopic basis by treating the lattice deformations and Anderson localization effects on the same footing. We identify an intermediate "bad insulator" transport regime which displays resistivity values exceeding the Mott-Ioffe-Regel limit and with a negative temperature coefficient, as often observed in strongly disordered metals. Our calculations reveal that this behavior originates from significant temperature-induced rearrangements of electronic states due to enhanced interaction effects close to the disorder-driven metal-insulator transition.

  8. Metal-insulator transition in epitaxial vanadium sesquioxide thin films (United States)

    Allimi, Bamidele S.

    Of all the transition metal oxides which exhibit metal-insulator transitions (MIT), one of the most extensively studied in recent years is the vanadium sesquioxide (V2O3), both from experimental and theoretical point of view. At a transition temperature of about 160 K at an ambient pressure of 1 atm, pure V2O3 transforms from a rhombohedral paramagnetic metallic (PM) to a monoclinic antiferromagnetic insulating (AFI) phase upon cooling, with a jump in the resistivity of about seven orders of magnitude. Experimental studies have focused more on bulk V2O3 and recently there have been significant interest in thin film fabrication of this material due to potential applications as thermal sensors, current limiters, Positive Temperature Coefficient (PTC) thermistors, and optical switches. This study addresses the deposition, characterization, and properties of high-quality epitaxial V2O3 thin films grown on a-, c-Al2O3 and c-LiTaO 3 substrates by a straightforward method of pulsed laser deposition (PLD). Various characterization techniques including X-ray diffraction, atomic force microscopy, scanning electron microscopy, and X-ray photoemission spectroscopy were used to examine the structural, crystallographic, and surface properties, while four point probe resistivity measurements were used to examine the electrical properties of the films. V2O3 thin films of different thicknesses ranging from 10-450 nm were deposited on c-Al 2O3 and c-LiTaO3 substrates by PLD to understand also the role of epitaxial strains. Resistivity measurements showed that depending on the thicknesses of films, different electrical transitions were exhibited by the samples. While some of the samples displayed the expected metal-insulator transition typical of bulk V2O3, some showed insulating behavior only and others exhibited metallic characteristics only over the whole temperature range. For example, for films on c-LiTaO3 with increasing film thickness, first an insulator-insulator, then a

  9. On metal-insulator transition in cubic fullerides (United States)

    Iwahara, Naoya; Chibotaru, Liviu

    The interplay between degenerate orbital and electron correlation is a key to characterize the electronic phases in, for example, transition metal compounds and alkali-doped fullerides. Besides, the degenerate orbital couples to spin and lattice degrees of freedom ,giving rise to exotic phenomena. Here, we develop the self-consistent Gutzwiller approach for the simultaneous treatment of the Jahn-Teller effect and electron correlation, and apply the methodology to reveal the nature of the ground electronic state of fullerides. For small Coulomb repulsion on site U, the fulleride is quasi degenerate correlated metal. With increase of U, we found the quantum phase transition from the metallic phase to JT split phase. In the latter, the Mott transition (MT) mainly develops in the half-filled subband, whereas the empty and the completely filled subbands are almost uninvolved. Therefore, we can qualify the metal-insulator transition in fullerides as an orbital selective MT induced by JT effect.

  10. Metal-insulator transition: the Mott criterion and coherence length

    CERN Document Server

    Pergament, A


    On the basis of the Mott criterion for metal-insulator transition (MIT), an expression for the correlation length, identical to that for the coherence length in the theory of superconductivity, is obtained. This correlation length characterizes the size of an electron-hole pair (in an excitonic insulator) or the effective Bohr radius (as, e.g., in doped semiconductors). The relation obtained is used for calculation of the coherence length in vanadium dioxide. The presence of two characteristic coherence lengths (xi sub 1 approx 20 A and xi sub 2 approx 2 A) is found. This is associated with the specific features of the transition mechanism in VO sub 2 : this mechanism represents a combination of the purely electronic Mott-Hubbard contribution and the structural (Peierls-like) one. It is shown, however, that the driving force of the MIT in VO sub 2 is the electron-correlation Mott-Hubbard transition.

  11. On holographic disorder-driven metal-insulator transitions

    International Nuclear Information System (INIS)

    Baggioli, Matteo; Pujolàs, Oriol


    We give a minimal holographic model of a disorder-driven metal-insulator transition. It consists in a CFT with a charge sector and a translation-breaking sector that interact in the most generic way allowed by the symmetries and by dynamical consistency. In the gravity dual, it reduces to a Massive Gravity-Maxwell model with a new direct coupling between the gauge field and the metric that is allowed when gravity is massive. We show that the effect of this coupling is to decrease the DC electrical conductivity generically. This gives a nontrivial check that holographic massive gravity can be consistently interpreted as disorder from the CFT perspective. The suppression of the conductivity happens to such an extent that it does not obey any lower bound and it can be very small in the insulating phase. In some cases, the large disorder limit produces gradient instabilities that hint at the formation of modulated phases.

  12. Kondo Lattices and the Mott Metal-Insulator Transition (United States)

    Nozières, Ph.


    In Kondo lattices with one magnetic impurity at every lattice site, few electrons must quench many spins. This old “exhaustion” issue has been pending for years: it now appears it does not arise: the coherence temperature at which a singlet ground state emerges is the Kondo temperature itself. We survey the evolution of that problem. We then argue that such a lattice Kondo effect governs the Mott transition from a paramagnetic metal to an incoherent spin disordered insulator. It explains the appearance of a narrow resonance in the middle of a large preformed gap. Our naive arguments can be extended to an orbitally degenerate situation: they provide a qualitative understanding of the effect discovered numerically by Capone et al. [Science 296 (2002) 2364], namely the appearance of s-wave superconductivity near the Mott transition when the atomic ground state is a singlet with no residual degeneracy.

  13. Holographic metal-insulator transition in higher derivative gravity

    Energy Technology Data Exchange (ETDEWEB)

    Ling, Yi, E-mail: [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai, 200444 (China); Liu, Peng, E-mail: [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Wu, Jian-Pin, E-mail: [Institute of Gravitation and Cosmology, Department of Physics, School of Mathematics and Physics, Bohai University, Jinzhou 121013 (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai, 200444 (China); Zhou, Zhenhua, E-mail: [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)


    We introduce a Weyl term into the Einstein–Maxwell-Axion theory in four dimensional spacetime. Up to the first order of the Weyl coupling parameter γ, we construct charged black brane solutions without translational invariance in a perturbative manner. Among all the holographic frameworks involving higher derivative gravity, we are the first to obtain metal-insulator transitions (MIT) when varying the system parameters at zero temperature. Furthermore, we study the holographic entanglement entropy (HEE) of strip geometry in this model and find that the second order derivative of HEE with respect to the axion parameter exhibits maximization behavior near quantum critical points (QCPs) of MIT. It testifies the conjecture in that HEE itself or its derivatives can be used to diagnose quantum phase transition (QPT).

  14. Electrically Induced Multiple Metal-Insulator Transitions in Oxide Nanodevices (United States)

    del Valle, Javier; Kalcheim, Yoav; Trastoy, Juan; Charnukha, Aliaksei; Basov, Dimitri N.; Schuller, Ivan K.


    We show that electrical resistive switching can trigger the appearance of multiple metal-insulator transitions (MITs) in VO2 and V2O3 planar nanodevices. We have fabricated planar devices to electrically induce oxygen vacancy drift and filament formation. We show that oxygen migration can create ordered vanadium-oxide phases of varying stoichiometry with an intrinsic MIT, resulting in well-defined hysteresis loops in the R vs T characteristics of the device. We also show that oxygen migration induces oxide phases displaying correlated behaviors. Our results open up the possibility to electrically control the MIT, enabling alternative functionalities in memristive devices and allowing for alternative paradigms in neuromorphic computing or memory applications.

  15. Covalency, Excitons, Double Counting and the Metal-Insulator Transition in Transition Metal Oxides (United States)

    Wang, Xin


    We present single-site dynamical mean-field studies of realistic models of transition metal oxides, including the cuprate superconductors and rare earth nickelates (in bulk and superlattice form). We include orbital multiplet effects and hybridization to ligands. We explicitly calculate the d-d exciton spectra for cuprates, finding sharp exciton lines in both metallic and insulating phases, which should be visible in experiments. We also find that the additional d3z^2-r^2 orbital does not contribute to an additional Fermi surface at any reasonable doping, in contradiction to previous slave-boson studies. The hybridization to ligands is shown to have crucial effects, for example suppressing the ferro-orbital order previously found in Hubbard model studies of nickelates. Hybridization to ligands is shown to be most naturally parametrized by the d-orbital occupancy. For cuprates and nickelates, insulating behavior is found to be present only for a very narrow range of d-occupancy, irrespective of the Coulomb repulsion. The d-occupancy predicted by standard band calculations is found to be very far from the values required to obtain an insulating phase, calling into question the interpretation of these materials as charge transfer insulators. [4pt] This work is done in collaboration with A.J. Millis, M.J. Han, C.A. Marianetti, L. de' Medici, and H.T. Dang, and is supported by NSF-DMR-1006282, the Army Office of Scientific Research, and the Condensed Matter Theory Center and CNAM at University of Maryland. [4pt] [1] X. Wang, H. T. Dang, and A. J. Millis, Phys. Rev. B 84, 014530 (2011).[0pt] [2] X. Wang, M. J. Han, L. de' Medici, C. A. Marianetti, and A. J. Millis, arXiv:1110.2782.[0pt] [3] M. J. Han, X. Wang, C. A. Marianetti, and A. J. Millis, Phys. Rev. Lett. 107, 206804 (2011).

  16. Phase coexistence in the metal-insulator transition of a VO2 thin film

    International Nuclear Information System (INIS)

    Chang, Y.J.; Koo, C.H.; Yang, J.S.; Kim, Y.S.; Kim, D.H.; Lee, J.S.; Noh, T.W.; Kim, Hyun-Tak; Chae, B.G.


    Vanadium dioxide (VO 2 ) shows a metal-insulator transition (MIT) near room temperature, accompanied by an abrupt resistivity change. Since the MIT of VO 2 is known to be a first order phase transition, it is valuable to check metallic and insulating phase segregation during the MIT process. We deposited (100)-oriented epitaxial VO 2 thin films on R-cut sapphire substrates. From the scanning tunneling spectroscopy (STS) spectra, we could distinguish metallic and insulating regions by probing the band gap. Optical spectroscopic analysis also supported the view that the MIT in VO 2 occurs through metal and insulator phase coexistence

  17. The control of magnetism near metal-to-insulator transitions of VO2 nano-belts

    CSIR Research Space (South Africa)

    Nkosi, SS


    Full Text Available The magnetic properties of paramagnetic/weakly ferromagnetic films are strongly affected by the proximity to materials that undergo a metal to insulator phase transition. Here, we show that under the deposition conditions associated with structural...

  18. Insulator-to-metal transition in vanadium sesquioxide: does the Mott criterion work in this case? (United States)

    Pergament, Alexander; Stefanovich, Genrikh


    It is shown that the Mott criterion expressed by the simple relation a B(n c)1/3 ≈ 0.25 turns out to be quite successful in describing metal-insulator phase transitions not only in heavily doped semiconductors, but also in transition metal oxides such as VO2 and V2O3. It is found in this article that, in the case of a high-temperature transition 'paramagnetic insulator - paramagnetic metal' in vanadium sesquioxide, a B(n c)1/3 = 0.254. Difficulties connected with the analogous description of a low-temperature transition ('paramagnetic metal - antiferromagnetic insulator') in V2O3 are discussed.

  19. Redefining the metal/charge-transfer insulator paradigm in transition metal oxides (United States)

    Dang, Hung; Ai, Xinyuan; Marianetti, Chris; Millis, Andrew


    The universality of the phase diagram in the variables of interaction strength and d-occupancy, shown for late transition metal oxides in Ref.[1], is examined for two series of early transition metal oxides: (SrVO3, SrCrO3, SrMnO3) and (LaTiO3, LaVO3, LaCrO3) using density functional theory (DFT), DFT+U and DFT+dynamical mean field theory methods. The interaction required to drive the metal-insulator transition is found to depend sensitively on the d-occupancy Nd, and beyond a threshold value of the d-occupancy an insulating state cannot be achieved for any practical value of the interaction. The critical Nd values are determined and compared to ab initio and experimental estimates where available. Additionally, the minimal model for the transition is determined and the crucial role played by the Hunds coupling is demonstrated. [4pt] [1] Xin Wang, M. J. Han, Luca de' Medici, C. A. Marianetti, and Andrew J. Millis (2011). arXiv:1110.2782

  20. Control of metal-insulator transition in (EDO-TTF)2SbF6 (United States)

    Maesato, Mitsuhiko; Nakano, Yoshiaki; Shao, Xiangfeng; Yoshida, Yukihiro; Yamochi, Hideki; Saito, Gunzi; Moreac, Alain; Ameline, Jean-Claude; Collet, Eric; Uruichi, Mikio; Yakushi, Kyuya


    We have examined the temperature dependence of optical reflectance spectra of (EDO-TTF)2SbF6 salt, and succeeded to detect the thermal hysteresis by the reflectance spectra. In order to investigate high pressure effects on the metal-insulator transition of SbF6 salt, we have performed Raman experiments under pressures up to 6 kbar. Drastic changes in the frequencies of charge sensitive C=C stretching modes suggested the pressure-induced reentrant metal-insulator-metal transition at room temperature.

  1. Metal-insulator transition in SrIrO3 with strong spin-orbit interaction. (United States)

    Wu, Fei-Xiang; Zhou, Jian; Zhang, L Y; Chen, Y B; Zhang, Shan-Tao; Gu, Zheng-Bin; Yao, Shu-Hua; Chen, Yan-Feng


    The thickness-dependent metal-insulator transition is observed in meta-stable orthorhombic SrIrO3 thin films synthesized by pulsed laser deposition. SrIrO3 films with thicknesses less than 3 nm demonstrate insulating behaviour, whereas those thicker than 4 nm exhibit metallic conductivity at high temperature, and insulating-like behaviour at low temperature. Weak/Anderson localization is mainly responsible for the observed thickness-dependent metal-insulator transition in SrIrO3 films. Temperature-dependent resistance fitting shows that electrical-conductivity carriers are mainly scattered by the electron-boson interaction rather than the electron-electron interaction. Analysis of the magneto-conductance proves that the spin-orbit interaction plays a crucial role in the magneto-conductance property of SrIrO3.

  2. Pressure-driven metal-insulator transition in hematite from dynamical mean-field theory

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Korotin, D. M.; Korotin, M. A.; Anisimov, V.I.; Werner, P.


    Roč. 102, č. 14 (2009), 146402/1-146402/4 ISSN 0031-9007 Institutional research plan: CEZ:AV0Z10100521 Keywords : metal-insulator transitions and other electronic transitions * strongly correlated electron systems * heavy fermions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.328, year: 2009

  3. Insulator-metal transition of fluid molecular hydrogen

    International Nuclear Information System (INIS)

    Ross, M.


    Dynamically compressed fluid hydrogen shows evidence for metallization at the relatively low pressure of 140 GPa (1.4 Mbar) while experiments on solid hydrogen made in a diamond-anvil cell have failed to detect any evidence for gap closure up to a pressure of 230 GPa (2.3 Mbar). Two possible mechanisms for metal- liclike resistivity are put forward. The first is that as a consequence of the large thermal disorder in the fluid (kT∼0.2 endash 0.3 eV) short-range molecular interactions lead to band tailing that extends the band edge into the gap, resulting in closure at a lower pressure than in the solid. The second mechanism argues that molecular dissociation creates H atoms that behave similar to n-type donors in a heavily doped semiconductor and undergo a nonmetal-metal Mott-type transition. copyright 1996 The American Physical Society

  4. First principles description of the insulator-metal transition in europium monoxide

    KAUST Repository

    Wang, Hao


    Europium monoxide, EuO, is a ferromagnetic insulator. Its electronic structure under pressure and doping is investigated by means of density functional theory. We employ spin polarized electronic structure calculations including onsite electron-electron interaction for the localized Eu 4f and 5d electrons. Our results show that under pressure the ferromagnetism is stable, both for hydrostatic and uniaxial pressure, while the compound undergoes an insulator-metal transition. The insulator-metal transition in O deficient and Gd doped EuO is reproduced for an impurity concentration of 6.25%. A 10 monolayer thick EuO(1 0 0) thin film is predicted to be an insulator with a narrow band gap of 0.08 eV. © 2011 Elsevier B.V. All rights reserved.

  5. Metal-insulator transition and superconductivity in heavily boron-doped diamond and related materials

    Energy Technology Data Exchange (ETDEWEB)

    Achatz, Philipp


    During this PhD project, the metal-insulator transition and superconductivity of highly boron-doped single crystal diamond and related materials have been investigated. The critical boron concentration n{sub c} for the metal-insulator transition was found to be the same as for the normal-superconductor transition. All metallic samples have been found to be superconducting and we were able to link the occurence of superconductivity to the proximity to the metal-insulator transition. For this purpose, a scaling law approach based on low temperature transport was proposed. Furthermore, we tried to study the nature of the superconductivity in highly boron doped single crystal diamond. Raman spectroscopy measurements on the isotopically substituted series suggest that the feature occuring at low wavenumbers ({approx} 500 cm{sup -1}) is the A1g vibrational mode associated with boron dimers. Usual Hall effect measurements yielded a puzzling situation in metallic boron-doped diamond samples, leading to carrier concentrations up to a factor 10 higher than the boron concentration determined by secondary ion mass spectroscopy (SIMS). The low temperature transport follows the one expected for a granular metal or insulator, depending on the interplay of intergranular and intragranular (tunneling) conductance. The metal-insulator transition takes place at a critical conductance g{sub c}. The granularity also influences significantly the superconducting properties by introducing the superconducting gap {delta} in the grain and Josephson coupling J between superconducting grains. A peak in magnetoresistance is observed which can be explained by superconducting fluctuations and the granularity of the system. Additionally we studied the low temperature transport of boron-doped Si samples grown by gas immersion laser doping, some of which yielded a superconducting transition at very low temperatures. Furthermore, preliminary results on the LO-phonon-plasmon coupling are shown for the

  6. Insulator to correlated metal transition in V_1-xMo_xO_2

    Energy Technology Data Exchange (ETDEWEB)

    Klimczuk, Tomasz [Los Alamos National Laboratory; Ronning, Filip [Los Alamos National Laboratory; Holman, Katherine [PRINCETON UNIV; Mcqueen, Tyrel M [PRINCETON UNIV; Williams, Anthony J [PRINDCETON UNIV; Stephens, P W [BNL; Zandbergen, Henny W [DELFT INSTIT OF TECH; Xu, Q [DELFT INSTIT OF TECH; Cava, Robert J [PRINCETON UNIV


    The change from metallic to insulating states is one of the most dramatic transitions that solids undergo on cooling or chemical doping. Many materials display this transition, but only a handful have the right combination of crystal structure and physical properties to serve as model systems. VO{sub 2} is one of those materials. Using Mo as a chemical dopant in VO{sub 2}, we find unanticipated phenomenology for both the electronic and structural characteristics of the resulting insulator to metal transition. The results support a complex, previously proposed scenario involving the coexistence of both electron repulsion and electron pairing for yielding an insulator in VO{sub 2}, but not simply; many issues are raised about local versus itinerant behavior and structure-property correlations in this most iconic ofdoped correlated electron systems.

  7. Correlation-Driven Insulator-Metal Transition in Near-Ideal Vanadium Dioxide Films (United States)

    Gray, A. X.; Jeong, J.; Aetukuri, N. P.; Granitzka, P.; Chen, Z.; Kukreja, R.; Higley, D.; Chase, T.; Reid, A. H.; Ohldag, H.; Marcus, M. A.; Scholl, A.; Young, A. T.; Doran, A.; Jenkins, C. A.; Shafer, P.; Arenholz, E.; Samant, M. G.; Parkin, S. S. P.; Dürr, H. A.


    We use polarization- and temperature-dependent x-ray absorption spectroscopy, in combination with photoelectron microscopy, x-ray diffraction, and electronic transport measurements, to study the driving force behind the insulator-metal transition in VO2 . We show that both the collapse of the insulating gap and the concomitant change in crystal symmetry in homogeneously strained single-crystalline VO2 films are preceded by the purely electronic softening of Coulomb correlations within V-V singlet dimers. This process starts 7 K (±0.3 K ) below the transition temperature, as conventionally defined by electronic transport and x-ray diffraction measurements, and sets the energy scale for driving the near-room-temperature insulator-metal transition in this technologically promising material.

  8. Theoretical study of metal-insulator transition in rhombohedral vanadium sesquioxide (United States)

    Liu, Guang-Hua; Deng, Xiao-Yan; Wang, Chun-Hai


    The electronic structure and the metal-insulator transition (MIT) of V2O3 are investigated in the framework of density functional theory and GGA+U. It is found that, both the insulating and metallic phases can be realized in rhombohedral structure by varying the on-site Coulomb interaction, and the MIT in V2O3 can take place without any structure phase transition. Our calculated energy gap (0.63 eV) agrees with experimental result very well. The metallic phase exhibits high spin (S=1) character, but it becomes S=1/2 in insulating phase. According to our analysis, the Mott-Hubbard and the charge-transfer induce the MIT together, and it supports the mechanism postulated by Tanaka (2002) [11].

  9. On the Problem of Metal-Insulator Transitions in Vanadium Oxides


    A. A. Velichko; N. A. Kuldin; G. B. Stefanovich; A. L. Pergament


    The problem of metal-insulator transition is considered. It is shown that the Mott criterion aB(nc)1/3≈0.25 is applicable not only to heavily doped semiconductors but also to many other materials, including some transition-metal compounds, such as vanadium oxides (particularly, VO2 and V2O3). The low-temperature transition (“paramagnetic metal—antiferromagnetic insulator”) in vanadium sesquioxide is described on the basis of this concept in terms of an intervening phase, between metal and ins...

  10. Photoinduced Coherent Spin Fluctuation in Primary Dynamics of Insulator to Metal Transition in Perovskite Cobalt Oxide

    Directory of Open Access Journals (Sweden)

    Arima T.


    Full Text Available Coherent spin fluctuation was detected in the photoinduced Mott insulator-metal transition in perovskite cobalt oxide by using 3 optical-cycle infrared pulse. Such coherent spin fluctuation is driven by the perovskite distortion changing orbital gap.

  11. Various scenarios of metal-insulator transition in strongly correlated materials

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Anisimov, V.I.


    Roč. 523, 8-9 (2011), 682-688 ISSN 0003-3804 R&D Projects: GA ČR GAP204/10/0284 Institutional research plan: CEZ:AV0Z10100521 Keywords : electronic correlations * metal-insulator transition * dynamical mean-field theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.841, year: 2011

  12. Metal-insulator transition and Frohlich conductivity in the Su-Schrieffer-Heeger model

    NARCIS (Netherlands)

    Michielsen, K.F L; de Raedt, H.A.


    A quantum molecular dynamics technique is used to study the single-particle density of states, Drude weight, optical conductivity and flux quantization in the Su-Schrieffer-Heeger (SSH) model. Our simulation data show that the SSH model has a metal-insulator transition away from half-filling. In the

  13. Pressure-driven insulator-metal transition in cubic phase UO2 (United States)

    Huang, Li; Wang, Yilin; Werner, Philipp


    Understanding the electronic properties of actinide oxides under pressure poses a great challenge for experimental and theoretical studies. Here, we investigate the electronic structure of cubic phase uranium dioxide at different volumes using a combination of density functional theory and dynamical mean-field theory. The ab initio calculations predict an orbital-selective insulator-metal transition at a moderate pressure of ∼45 GPa. At this pressure the uranium's 5f 5/2 state becomes metallic, while the 5f 7/2 state remains insulating up to about 60 GPa. In the metallic state, we observe a rapid decrease of the 5f occupation and total angular momentum with pressure. Simultaneously, the so-called “Zhang-Rice state”, which is of predominantly 5f 5/2 character, quickly disappears after the transition into the metallic phase.

  14. Metal-insulator phase transition in hydrogenated thin films of V2O3 (United States)

    Andreev, V. N.; Klimov, V. A.; Kompan, M. E.


    Temperature dependences of the electrical conductivity of thin vanadium sesquioxide V2O3 films obtained by using the laser sputtering technique have been studied. A significant decrease (by four-five orders of magnitude) in the electrical conductivity has been observed below 150 K as a result of a metal-insulator phase transition. It is shown that hydrogenation of films lowers the temperature of this phase transition.

  15. Structurally triggered metal-insulator transition in rare-earth nickelates. (United States)

    Mercy, Alain; Bieder, Jordan; Íñiguez, Jorge; Ghosez, Philippe


    Rare-earth nickelates form an intriguing series of correlated perovskite oxides. Apart from LaNiO 3 , they exhibit on cooling a sharp metal-insulator electronic phase transition, a concurrent structural phase transition, and a magnetic phase transition toward an unusual antiferromagnetic spin order. Appealing for various applications, full exploitation of these compounds is still hampered by the lack of global understanding of the interplay between their electronic, structural, and magnetic properties. Here we show from first-principles calculations that the metal-insulator transition of nickelates arises from the softening of an oxygen-breathing distortion, structurally triggered by oxygen-octahedra rotation motions. The origin of such a rare triggered mechanism is traced back in their electronic and magnetic properties, providing a united picture. We further develop a Landau model accounting for the metal-insulator transition evolution in terms of the rare-earth cations and rationalizing how to tune this transition by acting on oxygen rotation motions.

  16. Discrepancy of structural and electronic transitions in the vicinity of the Metal-Insulator-transition in V2 O 3 (United States)

    Kim, Hyun-Tak; Shin, Jun-Hwan; Choi, Jung-Young; Kim, Bong-Jun


    Vanadium sesquioxide (V2 O3) , representative of strongly correlated electronic system, has been known as undergoing the MIT (Metal-Insulator-Transition) which is between rhombohedral paramagnetic metallic phase and monoclinic antiferromagnetic insulating phase near the transition temperature, (Tc) ~ }150 K. In order to reveal a relation between electronic and structural atomic transition, we has measured the temperature dependence of DC conductivity and structural crystallographic characterization with various temperatures from 90 K to 300 K by using low-temperature X-Ray diffraction (LTXRD). The obtained results show a discrepancy of structural and electronic transitions. This discrepancy can be explained by forming of the metallic puddles whose the size and number increased by nucleation and percolation[1,2] during the electronic transition progress from 120 K to 180 K. The puddles have an insulating monoclinic structure before the structural phase transition at ~ 185 K. These metallic puddles are induced by the MIT not related to the SPT (structure phase transition). (1. M. M. Qazilbash et al., Science 318, 1750 (2007); 2. B. J. Kim et al., Phys. Rev. B 77, 235401(2008))

  17. Study of the metal-insulator transition and superconducting correlations of a generalized Hubbard model (United States)

    Arrachea, Liliana; Aligia, A. A.; Gagliano, E.


    We study the metal-insulator transition of a generalized Hubbard model in which the magnitude of the nearest-neighbor hopping depends on the occupations of the sites involved. Numerical results for finite chains at half-filling show that when 0 0 for which the system is metallic. This is consistent with a Hartree-Fock calculation. The metallic phase collapses to one point, U = 0, in the Hubbard limit. In the metallic phase we obtain that the superconducting correlations are the dominant ones, at least for doped systems.

  18. Dynamics of the insulator to metal transition in high quality V2 O3 thin films (United States)

    Abreu, Elsa; Wang, Siming; Zhang, Jingdi; Geng, Kun; Zhao, Xiaoguang; Fan, Kebin; Liu, Mengkun; Ramirez, Gabriel; Zhang, Xin; Schuller, Ivan K.; Averitt, Richard D.


    Metal-insulator transitions (MITs) are a striking manifestation of the interactions between the various degrees of freedom in complex materials. Vanadium sesquioxide (V2O3) is a prototypical MIT material, transitioning from an antiferromagnetic insulator to a paramagnetic metal at Tc=170K. We present a detailed investigation of the insulator-to-metal dynamics in single crystalline thin films of V2O3 following optical and far-infrared excitation, measured using THz time domain spectroscopy. Conductivity dynamics induced below Tc by ultrafast photoexcitation can be quantitatively described by nucleation and growth of the metallic volume fraction, which eventually gives rise to the full metallic state of V2O3 on a timescale of about 50ps. We will discuss our results in the broader context of phase transition dynamics of the vanadates and related strongly correlated electron materials. This work is supported by DOE grant DE-FG02-09ER46643, AFOSR Grants No. FA9550-12-1-0381 and FA9550-09-1-0708 and FCT/Portugal SFRH/BD/47847/2008.

  19. Numerical simulations of quantum many-body systems with applications to superfluid-insulator and metal-insulator transitions

    International Nuclear Information System (INIS)

    Niyaz, P.


    Quantum Monte Carlo techniques were used to study two quantum many-body systems, the one-dimensional extended boson-Hubbard Hamiltonian, a model of superfluid-insulator quantum phase transitions, and the two-dimensional Holstein Model, a model for electron-phonon interactions. For the extended boson-Hubbard model, the authors studied the ground state properties at commensurate filling (density = 1) and half-integer filling (density = 1/2). At commensurate filling, the system has two possible insulating phases for strong coupling. If the on-site repulsion dominates, the system freezes into an insulating phase where each site is singly occupied. If the intersite repulsion dominates, doubly occupied and empty sites alternate. At weak coupling, the system becomes a superfluid. The authors investigated the order of phase transitions between these different phases. At half-integer filling, the authors found one strong coupling insulating phase, where singly occupied and empty sites alternate, and a weak coupling superfluid phase. The authors also investigated the possibility of a supersolid phase and found no clear evidence of such a new phase. For the electron-phonon (Holstein) model, the authors focused on the finite temperature phase transition from a metallic state to an insulating charge density wave (CDW) state as the temperature is lowered. The authors present the first calculation of the spectral density from Monte Carlo data for this system. The authors also investigated the formation of a CDW state as a function of various parameters characterizing the electron-phonon interactions. Using these numerical results as benchmarks, the authors then investigated different levels of Migdal approximations. The authors found the solutions of a set of gapped Migdal-Eliashberg equations agreed qualitatively with the Monte Carlo results

  20. Electronic Structure Evolution across the Peierls Metal-Insulator Transition in a Correlated Ferromagnet

    Directory of Open Access Journals (Sweden)

    P. A. Bhobe


    Full Text Available Transition metal compounds often undergo spin-charge-orbital ordering due to strong electron-electron correlations. In contrast, low-dimensional materials can exhibit a Peierls transition arising from low-energy electron-phonon-coupling-induced structural instabilities. We study the electronic structure of the tunnel framework compound K_{2}Cr_{8}O_{16}, which exhibits a temperature-dependent (T-dependent paramagnetic-to-ferromagnetic-metal transition at T_{C}=180  K and transforms into a ferromagnetic insulator below T_{MI}=95  K. We observe clear T-dependent dynamic valence (charge fluctuations from above T_{C} to T_{MI}, which effectively get pinned to an average nominal valence of Cr^{+3.75} (Cr^{4+}∶Cr^{3+} states in a 3∶1 ratio in the ferromagnetic-insulating phase. High-resolution laser photoemission shows a T-dependent BCS-type energy gap, with 2G(0∼3.5(k_{B}T_{MI}∼35  meV. First-principles band-structure calculations, using the experimentally estimated on-site Coulomb energy of U∼4  eV, establish the necessity of strong correlations and finite structural distortions for driving the metal-insulator transition. In spite of the strong correlations, the nonintegral occupancy (2.25 d-electrons/Cr and the half-metallic ferromagnetism in the t_{2g} up-spin band favor a low-energy Peierls metal-insulator transition.

  1. Correlation-driven metal-insulator transition in proximity to an iron-based superconductor (United States)

    Charnukha, A.; Yin, Z. P.; Song, Y.; Cao, C. D.; Dai, Pengcheng; Haule, K.; Kotliar, G.; Basov, D. N.


    We report the direct spectroscopic observation of a metal to correlated-insulator transition in the family of iron-based superconducting materials. By means of optical spectroscopy we demonstrate that the excitation spectrum of NaFe1 -xCuxAs develops a large gap with increasing copper substitution. Dynamical mean-field theory calculations show a good agreement with the experimental data and suggest that the formation of the charge gap requires an intimate interplay of strong on-site electronic correlations and spin-exchange coupling, revealing the correlated Slater-insulator nature of the antiferromagnetic ground state. Our calculations further predict the high-temperature paramagnetic state of the same compound to be a highly incoherent correlated metal. We verify this prediction experimentally by showing that the doping-induced weakening of antiferromagnetic correlations enables a thermal crossover from an insulating to an incoherent metallic state. Redistribution of the optical spectral weight in this crossover uncovers the characteristic energy of Hund's-coupling and Mott-Hubbard electronic correlations essential for the electronic localization. Our results demonstrate that NaFe1 -xCuxAs continuously transitions from the typical itinerant phases of iron pnictides to a highly incoherent metal and ultimately a correlated insulator. Such an electronic state is expected to favor high-temperature superconductivity.

  2. Electrically induced insulator to metal transition in epitaxial SmNiO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Shukla, Nikhil, E-mail:; Dasgupta, Sandeepan; Datta, Suman [Department of Electrical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Joshi, Toyanath; Borisov, Pavel; Lederman, David [Department of Physics and Astronomy, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)


    We report on the electrically induced insulator to metal transition (IMT) in SmNiO{sub 3} thin films grown on (001) LaAlO{sub 3} by pulsed laser deposition. The behavior of the resistivity as a function of temperature suggests that the primary transport mechanism in the SmNiO{sub 3} insulating state is dominated by Efros-Shklovskii variable range hopping (ES-VRH). Additionally, the magnetic transition in the insulating state of SmNiO{sub 3} modifies the characteristics of the ES-VRH transport. Systematic DC and pulsed current-voltage measurements indicate that current-induced joule heating is the fundamental mechanism driving the electrically induced IMT in SmNiO{sub 3}. These transport properties are explained in context of the IMT in SmNiO{sub 3} being related to the strong electron-lattice coupling.

  3. Distinct Length Scales in the VO2 Metal-Insulator Transition Revealed by Bi-chromatic Optical Probing

    International Nuclear Information System (INIS)

    Wang, Lei; Novikova, Irina B.; Klopf, John M.; Madaras, Scott E.; Williams, Gwyn P.; Madaras, Eric; Lu, Liwei; Wolf, Stuart A.; Lukaszew, Rosa A.


    Upon a heating-induced metal-insulator transition (MIT) in VO 2 , microscopic metallic VO 2 puddles nucleate and coarsen within the insulating matrix. This coexistence of the two phases across the transition spans distinct length scales as their relative domain sizes change. Far-field optical probing is applied to follow the dynamic evolution of the highly correlated metallic domains as the MIT progresses

  4. Metal-insulator transition in disordered systems from the one-body density matrix

    DEFF Research Database (Denmark)

    Olsen, Thomas; Resta, Raffaele; Souza, Ivo


    systems. In particular, for noninteracting systems the geometrical marker can be obtained from the configurational average of the norm-squared one-body density matrix, which can be calculated within open as well as periodic boundary conditions. This is in sharp contrast to a classification based......The insulating state of matter can be probed by means of a ground state geometrical marker, which is closely related to the modern theory of polarization (based on a Berry phase). In the present work we show that this marker can be applied to determine the metal-insulator transition in disordered...

  5. Electric field-triggered metal-insulator transition resistive switching of bilayered multiphasic VOx (United States)

    Won, Seokjae; Lee, Sang Yeon; Hwang, Jungyeon; Park, Jucheol; Seo, Hyungtak


    Electric field-triggered Mott transition of VO2 for next-generation memory devices with sharp and fast resistance-switching response is considered to be ideal but the formation of single-phase VO2 by common deposition techniques is very challenging. Here, VOx films with a VO2-dominant phase for a Mott transition-based metal-insulator transition (MIT) switching device were successfully fabricated by the combined process of RF magnetron sputtering of V metal and subsequent O2 annealing to form. By performing various material characterizations, including scanning transmission electron microscopy-electron energy loss spectroscopy, the film is determined to have a bilayer structure consisting of a VO2-rich bottom layer acting as the Mott transition switching layer and a V2O5/V2O3 mixed top layer acting as a control layer that suppresses any stray leakage current and improves cyclic performance. This bilayer structure enables excellent electric field-triggered Mott transition-based resistive switching of Pt-VOx-Pt metal-insulator-metal devices with a set/reset current ratio reaching 200, set/reset voltage of less than 2.5 V, and very stable DC cyclic switching upto 120 cycles with a great set/reset current and voltage distribution less than 5% of standard deviation at room temperature, which are specifications applicable for neuromorphic or memory device applications. [Figure not available: see fulltext.

  6. Hyperfine spectroscopic study of the metal-insulator transition in V2O3 (United States)

    Forker, M.; Saitovitch, H.; de Jesus Silva, P. R.


    The metal-insulator (M-I) transition in vanadium sesquioxide V2O3 has been investigated by time differential perturbed angular correlation measurements of the electric fieldgradient (EFG) and the magnetic hyperfine field at dilute111Cd impurities. The EFG undergoes a first-order change at the M-I transition at Tt=160 K, but does not reflect the high temperature resistivity anomaly. The increase of the EFG with temperature in the metallic phase can be attributed to thermal variations of the oxygen sublattice. The temperature dependence of the magnetic hyperfine field in the insulating phase follows a Brioullin function with a saturation value of Hhf(O)=15 KOe and an extrapolated Neel temperature, which, depending on the impurity concentration, varies between 188 and 230 K.

  7. Practical Improvements to the Lee-More Conductivity Near the Metal-Insulator Transition

    International Nuclear Information System (INIS)

    Desjarlais, Michael P.


    The wide-range conductivity model of Lee and More is modified to allow better agreement with recent experimental data and theories for dense plasmas in the metal-insulator transition regime. Modifications primarily include a new ionization equilibrium model, consisting of a smooth blend between single ionization Saha (with a pressure ionization correction) and the generic Thomas-Fermi ionization equilibrium, a more accurate treatment of electron-neutral collisions using a polarization potential, and an empirical modification to the minimum allowed collision time. These simple modifications to the Lee-More algorithm permit a more accurate modeling of the physics near the metal-insulator transition, while preserving the generic Lee-More results elsewhere

  8. Practical improvements to the Lee-More conductivity near the metal-insulator transition

    International Nuclear Information System (INIS)

    Desjarlais, M.P.


    The wide-range conductivity model of Lee and More is modified to allow better agreement with recent experimental data and theories for dense plasmas in the metal-insulator transition regime. Modifications primarily include a new ionization equilibrium model, consisting of a smooth blend between single ionization Saha (with a pressure ionization correction) and the generic Thomas-Fermi ionization equilibrium, a more accurate treatment of electron-neutral collisions using a polarization potential, and an empirical modification to the minimum allowed collision time. These simple modifications to the Lee-More algorithm permit a more accurate modeling of the physics near the metal-insulator transition, while preserving the generic Lee-More results elsewhere. (orig.)

  9. Ultrafast far-infrared studies of vanadates &mdash Multiple routes for an insulator to metal transition (United States)

    Liu, Mengkun

    The metal insulator transition in vanadates has been studied for decades and yet new discoveries still spring up revealing new physics, especially among two of the most studied members: Vanadium sesquioxide (V20 3) and Vanadium dioxide (VO2). Although subtleties abound, both of the materials have first order insulator to metal phase transitions that are considered to be related to strong electron-electron (e-e) correlation. Further, ultrafast spectroscopy of strongly correlated materials has generated great interest in the field given the potential to dynamically distinguish the difference between electronic (spin) response versus lattice responses due to the associated characteristic energy and time scales. In this thesis, I mainly focus on utilizing ultrafast optical and THz spectroscopy to study phase transition dynamics in high quality V20 3 and VO2 thin films epitaxially grown on different substrates. The main findings of the thesis are: (1) Despite the fact that the insulator to metal transition (IMT) in V203 is electron-correlation driven, lattice distortion plays an important role. Coherent oscillations in the far-infrared conductivity are observed resulting from coherent acoustic phonon modulation of the bandwidth W. The same order of lattice distortion induces less of an effect on the electron transport in VO2 in comparison to V203. This is directly related to the difference in latent heat of the phase transitions in VO2 and V203. (2) It is possible for the IMT to occur with very little structural change in epitaxial strained VO2 films, like in the case of Cr doped or strained V203. However, in V02, this necessitates a large strain which is only possible by clamping to a substrate with larger c axis parameter through epitaxial growth. This is demonstrated for VO 2 films on TiO2 substrates. (3) Initiating an ultrafast photo-induced insulator-to-metal transition (IMT) is not only possible with above bandgap excitation, but also possible with high-field far

  10. Tuning the metal-insulator transition in manganite films through surface exchange coupling with magnetic nanodots. (United States)

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


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

  11. Orbital-selective insulator-metal transition in V2 O3 under external pressure (United States)

    Laad, M. S.; Craco, L.; Müller-Hartmann, E.


    We present a detailed account of the physics of vanadium sesquioxide (V2O3) , a benchmark system for studying correlation-induced metal-insulator transition(s). Based on a detailed perusal of a wide range of experimental data, we stress the importance of multiorbital Coulomb interactions in concert with first-principles local-density approximation (LDA) band structure for a consistent understanding of the insulator-metal (IM) transition under pressure. Using LDA+DMFT (dynamical mean-field theory), we show how the IM transition is of the orbital selective type, driven by large changes in dynamical spectral weight in response to small changes in trigonal field splitting under pressure. Very good quantitative agreement with (i) the switch of orbital occupation and (ii) S=1 at each V3+ site across the IM transition, and (iii) carrier effective mass in the paramagnetic phase, is obtained. Finally, using the LDA+DMFT solution, we have estimated screening-induced renormalization of the local, multiorbital Coulomb interactions. Computation of the one-particle spectral function using these screened values is shown to be in excellent quantitative agreement with very recent experimental (photoemission and x-ray-absorption spectroscopy) results. These findings provide strong support for an orbital-selective Mott transition in paramagnetic V2O3 .

  12. Substitution effect on metal-insulator transition of K2V8O16

    International Nuclear Information System (INIS)

    Isobe, Masahiko; Koishi, Shigenori; Yamazaki, Satoshi; Yamaura, Jun-ichi; Gotou, Hirotada; Yagi, Takehiko; Ueda, Yutaka


    The effect of the substitution of various ions on the metal-insulator (MI) transition at 170 K in K 2 V 8 O 16 has been investigated. Both Rb and Ti form complete solid solution systems: K 2-x Rb x V 8 O 16 and K 2 V 8-y Ti y O 16 , respectively. The substitution of Rb for K or of Ti for V splits the transition into two transitions: the high-temperature transition is a first-order MI transition from a tetragonal structure to a tetragonal structure, and the low-temperature transition is a second-order transition to a monoclinic structure. In K 2-x Rb x V 8 O 16 , the former terminates to an MI transition at around 220 K in Rb 2 V 8 O 16 , while the latter disappears at x > 0.6. In K 2 V 8-y Ti y O 16 , both transitions disappear at y > 0.5. The substitution of Cr for V also results in a similar splitting of the transition and the rapid disappearance of both transitions. The substitution of Na or Ba for K suppresses the MI transition without any splitting of the transition, although the solubility of both ions is limited. These substitution effects reveal that the MI transition of K 2 V 8 O 16 consists of two parts: a first-order MI transition and a parasitic second-order structural transition; the substitution of some ions causes a clear splitting of these transitions, probably due to the difference between the chemical pressure effects on the two transitions. The first-order MI transition is very sensitive to charge randomness, suggesting the charge ordering nature of the MI transition, while the second-order structural transition is very sensitive to both charge and structural randomnesses. (author)

  13. The electronic structure and metal-insulator transitions in vanadium oxides

    International Nuclear Information System (INIS)

    Mossanek, Rodrigo Jose Ochekoski


    The electronic structure and metal-insulator transitions in vanadium oxides (SrVO 3 , CaVO 3 , LaVO 3 and YVO 3 ) are studied here. The purpose is to show a new interpretation to the spectra which is coherent with the changes across the metal-insulator transition. The main experimental techniques are the X-ray photoemission (PES) and X-ray absorption (XAS) spectroscopies. The spectra are interpreted with cluster model, band structure and atomic multiplet calculations. The presence of charge-transfer satellites in the core-level PES spectra showed that these vanadium oxides cannot be classified in the Mott-Hubbard regime. Further, the valence band and core-level spectra presented a similar behavior across the metal insulator transition. In fact, the structures in the spectra and their changes are determined by the different screening channels present in the metallic or insulating phases. The calculated spectral weight showed that the coherent fluctuations dominate the spectra at the Fermi level and give the metallic character to the SrVO 3 and CaVO 3 compounds. The vanishing of this charge fluctuation and the replacement by the Mott-Hubbard screening in the LaVO 3 and YVO 3 systems is ultimately responsible for the opening of a band gap and the insulating character. Further, the correlation effects are, indeed, important to the occupied electronic structure (coherent and incoherent peaks). On the other hand, the unoccupied electronic structure is dominated by exchange and crystal field effects (t2g and eg sub-bands of majority and minority spins). The optical conductivity spectrum was obtained by convoluting the removal and addition states. It showed that the oxygen states, as well as the crystal field and exchange effects are necessary to correctly compare and interpret the experimental results. Further, a correlation at the charge-transfer region of the core-level and valence band optical spectra was observed, which could be extended to other transition metal

  14. Can a Metal-Insulator Transition Induce s-Wave Superconductivity? (United States)

    Nozières, Ph.


    A recent paper of Capone et al. has studied an extended Hubbard model, in which local orbital degrees of freedom allow an even integer occupation at each site. A strong local repulsion U triggers a metal-insulator transition. Within a DMFT numerical analysis they show that when the ground state is a singlet a pocket of s-wave superconductivity appears in the vicinity of the Mott transition, with a strongly enhanced superconducting gap. A qualitative understanding of their result is proposed, and suggestions are made of possible systems in which this beautiful effect might be searched.

  15. Metal-insulator transitions and superconductivity in ditetramethyltetraselenafulvalenium flourosulfonate [(TMTSF)2FSO3

    International Nuclear Information System (INIS)

    Lacoe, R.C.; Wolf, S.A.; Chaikin, P.M.; Wudl, F.; Aharon-Shalom, E.


    We have investigated the phase diagram of the organic charge-transfer salt ditetramethyltetraselenafulvalenium flourosulfonate [(TMTSF) 2 FSO 3 ] which contains an asymmetric dipolar anion. At low pressures there is a metal-insulator transition related to anion ordering. Between 5 and 6 kbar, there is a dipolar glass phase with increased resistivity. However, thermopower and superconducting measurements indicate that the Fermi surface remains ungapped. Above 5 kbar there is a superconducting transition with T/sub c/>2 K. This is the highest T/sub c/ for this family of compounds and suggests that the anions can enhance T/sub c/

  16. Metal-insulator transition in one-dimensional lattices with chaotic energy sequences

    International Nuclear Information System (INIS)

    Pinto, R.A.; Rodriguez, M.; Gonzalez, J.A.; Medina, E.


    We study electronic transport through a one-dimensional array of sites by using a tight binding Hamiltonian, whose site-energies are drawn from a chaotic sequence. The correlation degree between these energies is controlled by a parameter regulating the dynamic Lyapunov exponent measuring the degree of chaos. We observe the effect of chaotic sequences on the localization length, conductance, conductance distribution and wave function, finding evidence of a metal-insulator transition (MIT) at a critical degree of chaos. The one-dimensional metallic phase is characterized by a Gaussian conductance distribution and exhibits a peculiar non-selfaveraging

  17. Metal-Insulator Transition Revisited for Cold Atoms in Non-Abelian Gauge Potentials

    International Nuclear Information System (INIS)

    Satija, Indubala I.; Dakin, Daniel C.; Clark, Charles W.


    We discuss the possibility of realizing metal-insulator transitions with ultracold atoms in two-dimensional optical lattices in the presence of artificial gauge potentials. For Abelian gauges, such transitions occur when the magnetic flux penetrating the lattice plaquette is an irrational multiple of the magnetic flux quantum. Here we present the first study of these transitions for non-Abelian U(2) gauge fields. In contrast to the Abelian case, the spectrum and localization transition in the non-Abelian case is strongly influenced by atomic momenta. In addition to determining the localization boundary, the momentum fragments the spectrum. Other key characteristics of the non-Abelian case include the absence of localization for certain states and satellite fringes around the Bragg peaks in the momentum distribution and an interesting possibility that the transition can be tuned by the atomic momenta

  18. Axially engineered metal-insulator phase transition by graded doping VO2 nanowires. (United States)

    Lee, Sangwook; Cheng, Chun; Guo, Hua; Hippalgaonkar, Kedar; Wang, Kevin; Suh, Joonki; Liu, Kai; Wu, Junqiao


    The abrupt first-order metal-insulator phase transition in single-crystal vanadium dioxide nanowires (NWs) is engineered to be a gradual transition by axially grading the doping level of tungsten. We also demonstrate the potential of these NWs for thermal sensing and actuation applications. At room temperature, the graded-doped NWs show metal phase on the tips and insulator phase near the center of the NW, and the metal phase grows progressively toward the center when the temperature rises. As such, each individual NW acts as a microthermometer that can be simply read out with an optical microscope. The NW resistance decreases gradually with the temperature rise, eventually reaching 2 orders of magnitude drop, in stark contrast to the abrupt resistance change in undoped VO2 wires. This novel phase transition yields an extremely high temperature coefficient of resistivity ~10%/K, simultaneously with a very low resistivity down to 0.001 Ω·cm, making these NWs promising infrared sensing materials for uncooled microbolometers. Lastly, they form bimorph thermal actuators that bend with an unusually high curvature, ~900 m(-1)·K(-1) over a wide temperature range (35-80 °C), significantly broadening the response temperature range of previous VO2 bimorph actuators. Given that the phase transition responds to a diverse range of stimuli-heat, electric current, strain, focused light, and electric field-the graded-doped NWs may find wide applications in thermo-opto-electro-mechanical sensing and energy conversion.

  19. Dimensional effects in a disordered system near metal-insulator transitions and superconductor-insulator transitions; Effets dimensionnels dans un systeme desordonne au voisinage des transitions metal-isolant et supraconducteur-isolant

    Energy Technology Data Exchange (ETDEWEB)

    Akiko Marrache-Kikuchi, C


    Low temperature transport in disordered conducting materials implies quantum interference, Coulomb repulsion, and superconducting fluctuations. Since 2-D is the lower critical dimension for the existence of metallic and superconducting states, we have studied two quantum phase transitions - the Superconductor-to-Insulator Transition (SIT) and the Metal-to-Insulator Transition (MIT) - when the thickness of a disordered system - here a-NbSi - is lowered. The underlying problem is the transition between the different states and the conditions for a 2-D metal to exist. We have studied the field and disorder-induced SIT. The principal characteristics we have observed (renormalization, role of the field orientation) are well explained by M.P.A. Fisher's theory. However, we do not find the critical exponents values and a universal resistance at the transition as predicted by this theory. Concerning the MIT, we have decreased the thickness of a metallic system to reach the dimension 2 and an insulating state. In both transitions, the passage to the insulating state clearly shows the existence of dissipative states at zero temperature that are not predicted by conventional theories. We propose an interpretation of all our results that implies the existence of a novel phase in 2-D, a Bose Metal, between the superconducting and the metallic states. This new state has been predicted by recent theories. We trace the corresponding phase diagram for the model system NbSi with respect to concentration and film thickness. In the second appendix it is shown how superconducting thin films of Nb{sub x}Si{sub 1-x} are used to make transition edge sensors used in the particle detection field. (author)

  20. Mesoscopic Metal-Insulator Transition at Ferroelastic Domain Walls in VO2

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Keith M [ORNL; Kalinin, Sergei V [ORNL; Kolmakov, Andrei [ORNL; Luk' yanchuk, Prof. Igor A. [University of Picardie Jules Verne, Amiens, France; Meunier, Vincent [ORNL; Proksch, Roger [Asylum Research, Santa Barbara, CA; Shelton Jr, William Allison [ORNL; Strelcov, Evgheni [Southern Illinois University; Tselev, Alexander [ORNL


    The novel phenomena induced by symmetry breaking at homointerfaces between ferroic variants in ferroelectric and ferroelastic materials have attracted recently much attention. Using variable temperature scanning microwave microscopy, we demonstrate the mesoscopic strain-induced metal-insulator phase transitions in the vicinity of ferroelastic domain walls in the semiconductive VO2 that nucleated at temperatures as much as 10-12 C below bulk transition, resulting in the formation of conductive channels in the material. Density functional theory is used to rationalize the process low activation energy. This behavior, linked to the strain inhomogeneity inherent in ferroelastic materials, can strongly affect interpretation of phase-transition studies in VO2 and similar materials with symmetry-lowering transitions, and can also be used to enable new generations of electronic devices though strain engineering of conductive and semiconductive regions.

  1. Superconductor-Metal-Insulator transition in two dimensional Ta thin Films (United States)

    Park, Sun-Gyu; Kim, Eunseong


    Superconductor-insulator transition has been induced by tuning film thickness or magnetic field. Recent electrical transport measurements of MoGe, Bi, Ta thin films revealed an interesting intermediate metallic phase which intervened superconducting and insulating phases at certain range of magnetic field. Especially, Ta thin films show the characteristic IV behavior at each phase and the disorder tuned intermediate metallic phase [Y. Li, C. L. Vicente, and J. Yoon, Physical Review B 81, 020505 (2010)]. This unexpected metallic phase can be interpreted as a consequence of vortex motion or contribution of fermionic quasiparticles. In this presentation, we report the scaling behavior during the transitions in Ta thin film as well as the transport measurements in various phases. Critical exponents v and z are obtained in samples with wide ranges of disorder. These results reveal new universality class appears when disorder exceeds a critical value. Dynamical exponent z of Superconducting sample is found to be 1, which is consistent with theoretical prediction of unity. z in a metallic sample is suddenly increased to be approximately 2.5. This critical exponent is much larger than the value found in other system and theoretical prediction. We gratefully acknowledge the financial support by the National Research Foundation of Korea through the Creative Research Initiatives.

  2. Experimental Observation of a Metal-insulator Transition in 2D at Zero Magnetic Field (United States)

    Kravchenko, S. V.


    The scaling theory of Abrahams et al. ^1 has had considerable success in describing many features of metal-insulator transitions. Within this theory, which was developed for non-interacting electrons, no such transition is possible in two-dimensional electron systems (2DES) in the absence of a magnetic field. However, we show experimentally that an ultra-high-mobility 2DES on the surface of silicon does exhibit the signature of a true metal-insulator phase transition at zero magnetic field at a critical electron density n_c ~10^11 cm-2. The energy of electron-electron interactions, ignored in the scaling theory,^1 is the dominant parameter in this 2DES. The resistivity, ρ, is empirically found to scale near the critical point both with temperature T and electric field E so that it can be represented by the form ρ(T,n_s)=ρ(T/T_0(n_s)) as Earrow0 or ρ(E,n_s)=ρ(E/E_0(n_s)) as Tarrow0. At the transition, the resistivity is close to 3h/e^2. Both scaling parameters, T0 and E_0, show power law behavior at the critical point. This is characteristic of a true phase transition and strongly resembles, in particular, the superconductor-insulator transition in disordered thin films,^2 as well as the transition between quantum Hall liquid and insulator.^3 Many high-mobility samples from two different sources (Institute for Metrological Service, Russia, and Siemens AG, Germany) with different oxide thicknesses and gate materials have been studied and similar results were found. Work done in collaboration with J. E. Furneaux, Whitney Mason, V. M. Pudalov, and M. D'Iorio, supported by NSF. ^1 E. Abrahams, P. W. Anderson, D. C. Licciardello, and T. V. Ramakrishnan, Phys. Rev. Lett. 42, 673 (1979). ^2 Y. Liu, K. A. McGreer, B. Nease, D. B. Haviland, G. Martinez, J. W. Halley, and A. M. Goldman, Phys. Rev. Lett. 67, 2068 (1991). ^3 T. Wang, K. P. Clark, G. F. Spencer, A. M. Mack, and W. P. Kirk, Phys. Rev. Lett. 72, 709 (1994).

  3. Excitonic metal-insulator phase transition of the Mott type in compressed calcium (United States)

    Voronkova, T. O.; Sarry, A. M.; Sarry, M. F.; Skidan, S. G.


    It has been experimentally found that, under the static compression of a calcium crystal at room temperature, it undergoes a series of structural phase transitions: face-centered cubic lattice → body-centered cubic lattice → simple cubic lattice. It has been decided to investigate precisely the simple cubic lattice (because it is an alternative lattice) with the aim of elucidating the possibility of the existence of other (nonstructural) phase transitions in it by using for this purpose the Hubbard model for electrons with half-filled ns-bands and preliminarily transforming the initial electronic system into an electron-hole system by means of the known Shiba operators (applicable only to alternative lattices). This transformation leads to the fact that, in the new system of fermions, instead of the former repulsion, there is an attraction between electrons and holes. Elementary excitations of this new system are bound boson pairs—excitons. This system of fermions has been quantitatively analyzed by jointly using the equation-of-motion method and the direct algebraic method. The numerical integration of the analytically exact transcendental equations derived from the first principles for alternative (one-, two-, and three-dimensional) lattices has demonstrated that, in systems of two-species (electrons + hole) fermions, temperature-induced metal-insulator phase transitions of the Mott type are actually possible. Moreover, all these crystals are in fact excitonic insulators. This conclusion is in complete agreement with the analytically exact calculations of the ground state of a one-dimensional crystal (with half-filled bands), which were performed by Lieb and Wu with the aim to find out the Mott insulator-metal transition of another type.

  4. Multilevel radiative thermal memory realized by the hysteretic metal-insulator transition of vanadium dioxide

    International Nuclear Information System (INIS)

    Ito, Kota; Nishikawa, Kazutaka; Iizuka, Hideo


    Thermal information processing is attracting much interest as an analog of electronic computing. We experimentally demonstrated a radiative thermal memory utilizing a phase change material. The hysteretic metal-insulator transition of vanadium dioxide (VO 2 ) allows us to obtain a multilevel memory. We developed a Preisach model to explain the hysteretic radiative heat transfer between a VO 2 film and a fused quartz substrate. The transient response of our memory predicted by the Preisach model agrees well with the measured response. Our multilevel thermal memory paves the way for thermal information processing as well as contactless thermal management

  5. Single-particle spectral function of a generalized Hubbard model: Metal-insulator transition (United States)

    Gagliano, E. R.; Aligia, A. A.; Arrachea, Liliana; Avignon, Michel


    A generalized Hubbard model with correlated hoppings is studied at half filling using exact diagonalization methods. For certain values of the hopping parameters our results for several static properties, the Drude weight and the single-particle spectra function, suggest the occurrence of a metal-insulator transition (MIT) at a finite value of the local Coulomb interaction Uc. We identify the regions of the hopping parameters where the MIT is of the Mott type. In these regions, for large U

  6. Metal-Insulator transition at very high magnetic fields in an organic conductor (United States)

    Graf, D.; Choi, E. S.; Brooks, J. S.; Mielke, C.; Harrison, N.; Murata, K.; Konoike, T.; Papavassiliou, G. C.


    Tau-phase organic conductors based on the P-(S,S)-DMEDT-TTF donor molecule exhibit a first order phase transition in high magnetic fields. Low temperature magnetoresistance measurements of τ-(P-(S,S)-DMEDT-TTF)_2(AuBr_2)_1_+y show an abrupt upturn when fields are swept beyond 35 tesla. Observations of sample current indicate that conduction ceases completely in the insulating state. Skin depth, magnetocaloric, and magnetization measurements in pulsed magnetic fields were also used to characterize the high field phase diagram of this metal-insulator transition. Measurements of the angular dependence reveal this to be an isotropic bulk effect rather than an orbital effect in stark contrast to conventional low dimensional metals. In contrast, τ-(EDO-(S,S)-DMEDT-TTF)_2(AuBr_2)_1_+y exhibits pronounced SdH oscillations against a less pronounced, but isotropic rise in magnetoresistance. Models for this new type of transition in an organic conductor will be considered.

  7. Metal-Insulator Phase Transition in thin VO2 films: A Look from the Far Infrared Side

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd; Fischer, B. M.; Thoman, A.

    Vanadium dioxide (VO2) displays a well-known metal-insulator (MI) transition at atemperature of 68oC. The MI transition in VO2 has been studied extensively by a widerange of optical, electrical, structural, and magnetic measurements. In spite of this there isstill some controversy about the nature...

  8. Metal-Insulator Transition Driven by Vacancy Ordering in GeSbTe Phase Change Materials. (United States)

    Bragaglia, Valeria; Arciprete, Fabrizio; Zhang, Wei; Mio, Antonio Massimiliano; Zallo, Eugenio; Perumal, Karthick; Giussani, Alessandro; Cecchi, Stefano; Boschker, Jos Emiel; Riechert, Henning; Privitera, Stefania; Rimini, Emanuele; Mazzarello, Riccardo; Calarco, Raffaella


    Phase Change Materials (PCMs) are unique compounds employed in non-volatile random access memory thanks to the rapid and reversible transformation between the amorphous and crystalline state that display large differences in electrical and optical properties. In addition to the amorphous-to-crystalline transition, experimental results on polycrystalline GeSbTe alloys (GST) films evidenced a Metal-Insulator Transition (MIT) attributed to disorder in the crystalline phase. Here we report on a fundamental advance in the fabrication of GST with out-of-plane stacking of ordered vacancy layers by means of three distinct methods: Molecular Beam Epitaxy, thermal annealing and application of femtosecond laser pulses. We assess the degree of vacancy ordering and explicitly correlate it with the MIT. We further tune the ordering in a controlled fashion attaining a large range of resistivity. Employing ordered GST might allow the realization of cells with larger programming windows.

  9. Metal - Insulator Transition Driven by Vacancy Ordering in GeSbTe Phase Change Materials (United States)

    Bragaglia, Valeria; Arciprete, Fabrizio; Zhang, Wei; Mio, Antonio Massimiliano; Zallo, Eugenio; Perumal, Karthick; Giussani, Alessandro; Cecchi, Stefano; Boschker, Jos Emiel; Riechert, Henning; Privitera, Stefania; Rimini, Emanuele; Mazzarello, Riccardo; Calarco, Raffaella


    Phase Change Materials (PCMs) are unique compounds employed in non-volatile random access memory thanks to the rapid and reversible transformation between the amorphous and crystalline state that display large differences in electrical and optical properties. In addition to the amorphous-to-crystalline transition, experimental results on polycrystalline GeSbTe alloys (GST) films evidenced a Metal-Insulator Transition (MIT) attributed to disorder in the crystalline phase. Here we report on a fundamental advance in the fabrication of GST with out-of-plane stacking of ordered vacancy layers by means of three distinct methods: Molecular Beam Epitaxy, thermal annealing and application of femtosecond laser pulses. We assess the degree of vacancy ordering and explicitly correlate it with the MIT. We further tune the ordering in a controlled fashion attaining a large range of resistivity. Employing ordered GST might allow the realization of cells with larger programming windows.

  10. Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering (United States)

    Lee, Alex Taekyung; Marianetti, Chris A.


    Re-based double perovskites (DPs) have garnered substantial attention due to their high Curie temperatures (TC) and display of complex interplay of structural and metal-insulator transitions (MIT). Here we systematically study the ground-state electronic and structural properties for a family of Re-based DPs A2B ReO6 (A =Sr, Ca and B =Cr, Fe), which are related by a common low-energy Hamiltonian, using density functional theory +U calculations. We show that the on-site interaction U of Re induces orbital ordering (denoted C-OO), with each Re site having an occupied dx y orbital and a C-type alternation among dx z/dy z , resulting in an insulating state consistent with experimentally determined insulators Sr2CrReO6 , Ca2CrReO6 , and Ca2FeReO6 . The threshold value of UR e for orbital ordering is reduced by inducing Eg octahedral distortions of the same C-type wavelength (denoted C-OD), which serves as a structural signature of the orbital ordering; octahedral tilting also reduces the threshold. The C-OO and the concomitant C-OD are a spontaneously broken symmetry for the Sr-based materials (i.e., a0a0c- tilt pattern), while not for the Ca-based systems (i.e., a-a-b+ tilt pattern). Spin-orbit coupling does not qualitatively change the physics of the C-OO/C-OD, but can induce relevant quantitative changes. We prove that a single set of UC r,UF e,UR e capture the experimentally observed metallic state in Sr2FeReO6 and insulating states in other three systems. We predict that the C-OO is the origin of the insulating state in Sr2CrReO6 , and that the concomitant C-OD may be experimentally observed at sufficiently low temperatures (i.e., space group P 42/m ) in pure samples. Additionally, given our prescribed values of U , we show that the C-OO induced insulating state in Ca2CrReO6 will survive even if the C-OD amplitude is suppressed (e.g., due to thermal fluctuations). The role of the C-OO/C-OD in the discontinuous, temperature driven MIT in Ca2FeReO6 is discussed.

  11. On the Mott transition and the new metal-insulator transitions in doped covalent and polar crystals

    International Nuclear Information System (INIS)

    Dzhumanov, S.; Begimkulov, U.; Kurbanov, U.T.; Yavidov, B.Y.


    The Mott transition and new metal-insulator transitions (MIT's) and their distinctive features in doped covalent semiconductors and polar compounds are studied within the continuum model of extrinsic carrier self-trapping, the Hubbard impurity band model (with on-site Coulomb repulsion and screening effects) and the extrinsic (bi)polaronic band model (with short- and long-range carrier-impurity, impurity-phonon and carrier-phonon interactions and intercarrier correlation) using the appropriate tight-binding approximations and variational methods. We have shown the formation possibility of large-radius localized one- and two-carrier impurity (or defect) states and narrow impurity bands in the band gap and charge transfer gap of these carrier-doped systems. The extrinsic Mott-Hubbard and (bi)polaronic insulating gaps are calculated exactly. The proper criterions for Mott transition, extrinsic excitonic and (bi)polaronic MIT's are obtained. We have demonstrated that the Mott transition occurs in doped covalent semiconductors (i.e. Si and Ge) and some insulators with weak carrier-phonon coupling near the large-radius dopants. While, in doped polar compounds (e.g. oxide high-T c superconductors (HTSC) and related materials) the MIT's are new extrinsic (or intrinsic) (bi)polaronic MIT's. We have found that the anisotropy of the dielectric (or (bi)polaronic) properties of doped cuprate HTSC is responsible for smooth (or continuous) MIT's, stripe formation and suppression of high-T c superconductivity. Various experimental results on in-gap states, bands and MIT's in doped covalent semiconductors, oxide HTSC and related materials are in good agreement with the developed theory of Mott transition and new (bi)polaronic MIT's. (author)

  12. Realizing the insulator-to-metal transition in Se-hyperdoped Si via non-equilibrium material processing


    Liu, F.; Prucnal, S.; Berencén, Y.; Zhang, Z.; Yuan, Y.; Liu, Y.; Heller, R.; Boettger, R.; Rebohle, L.; Skorupa, W.; Helm, M.; Zhou, S.


    We report on the insulator-to-metal transition in Se-hyperdoped Si layers driven by manipulating the Se concentration via non-equilibrium material processing, i.e. ion implantation followed by millisecond-flash lamp annealing. Electrical transport measurements reveal an increase of carrier concentration and conductivity with increasing Se concentration. For the semi-insulating sample with Se concentrations below the Mott limit, quantitative analysis of the temperature dependence of conductivi...

  13. Metal-Insulator Transition in nanoparticle solids: a kinetic Monte Carlo study (United States)

    Zimanyi, Gergely; Qu, Luman; Voros, Marton

    Nanoparticle (NP) solids recently emerged as a promising platform for high performance electronic/optoelectronic devices, including third generation solar cells, light emitting diodes and field effect transistors. A challenge of NP films is that their charge transport is in the unfavorable hopping/insulating regime. Recent experiments showed that it is possible to tune the NP solids through a Metal-Insulator Transition (MIT) via ligand engineering and ALD matrix infilling. However, the microscopic understanding of this transition is not yet clear. To address this challenge, we developed a Kinetic Monte Carlo transport modeling framework that builds on determining NP parameters from ab initio-based calculations of the energy level structures, charging energies and overlaps, and then uses these to compute the hopping mobility across a disordered NP array by the Marcus and Miller-Abrahams mechanisms. We reproduced and explained the observed non-monotonous dependence of the mobility on the NP diameter. Centrally, we extended our platform to be able to capture the MIT. We determined the MIT phase boundary on the (NP-NP overlap - Electron density) plane. We demonstrated that all mobilities fall on a universal scaling curve, allowing us to determine the critical behavior across the MIT. Supported by: UC Davis Office of Research RISE ANSWER Grant.

  14. Probing the Metal-Insulator Transition in BaTiO3 by Electrostatic Doping (United States)

    Raghavan, Santosh; Zhang, Jack Y.; Shoron, Omor F.; Stemmer, Susanne


    The metal-to-insulator transition in BaTiO3 is investigated using electrostatic doping, which avoids effects from disorder and strain that would accompany chemical doping. SmTiO3/BaTiO3/SrTiO3 heterostructures are doped with a constant sheet carrier density of 3 ×1014 cm-2 that is introduced via the polar SmTiO3/BaTiO3 interface. Below a critical BaTiO3 thickness, the structures exhibit metallic behavior with high carrier mobilities at low temperatures, similar to SmTiO3/SrTiO3 interfaces. Above this thickness, data indicate that the BaTiO3 layer becomes ferroelectric. The BaTiO3 lattice parameters increase to a value consistent with a strained, tetragonal unit cell, the structures are insulating below ˜125 K , and the mobility drops by more than an order of magnitude, indicating self-trapping of carriers. The results shed light on the interplay between charge carriers and ferroelectricity.

  15. Surface conditions for the observation of metal-insulator transitions on Cr-doped V 2O 3 (United States)

    Toledano, David S.; Metcalf, Patricia; Henrich, Victor E.


    Chromium-doped vanadium sesquioxide, (V 1- xCr x) 2O 3, displays two metal-insulator transitions with temperature for 0.005< x<0.0179. The high-temperature (˜300 K) transition occurs in a temperature range that is of interest for catalysis; the physics of the transition is also of fundamental interest. However, so far that transition has been observed only on cleaved samples. Due to the difficulty in obtaining doped single crystals for cleaving, alternate preparation methods are required. (V 0.985Cr 0.015) 2O 3 (0001) was prepared both by scraping with a diamond file and by ion bombardment followed by annealing in oxygen; the resulting surfaces were examined by ultraviolet photoelectron spectroscopy (UPS) and X-ray photoelectron spectroscopy (XPS) for evidence of the high-temperature metal-insulator transition. Although resistance measurements across the transition temperature showed that a transition had taken place in the bulk, no changes were observed in photoemission spectra of scraped samples; they appeared insulating both above and below the transition. Annealed samples, on the other hand, displayed a clear increase in the density of states at EF, as well as changes in core-level XPS consistent with a metallic surface, as the temperature was lowered through the transition. Sharp (1×1) low energy electron diffraction (LEED) patterns were obtained from annealed surfaces, and Auger spectra showed no evidence of chromium segregation following annealing.

  16. Surface antiferromagnetism and incipient metal-insulator transition in strained manganite films

    KAUST Repository

    Cossu, Fabrizio


    Using first-principles calculations, we show that the (001) surface of the ferromagnet La0.7Sr0.3MnO3 under an epitaxial compressive strain favors antiferromagnetic (AF) order in the surface layers, coexisting with ferromagnetic (FM) bulk order. Surface antiferromagnetism is accompanied by a very marked surface-related spectral pseudogap, signaling an incomplete metal-insulator transition at the surface. The different relaxation and rumpling of the MnO2 and LaO surface planes in the two competing magnetic phases cause distinct work-function changes, which are of potential diagnostic use. The AF phase is recognized as an extreme surface-assisted case of the combination of in-plane AF super-exchange and vertical FM double-exchange couplings that rules magnetism in manganites under in-plane compression.

  17. Ambipolar insulator-to-metal transition in black phosphorus by ionic-liquid gating. (United States)

    Saito, Yu; Iwasa, Yoshihiro


    We report ambipolar transport properties in black phosphorus using an electric-double-layer transistor configuration. The transfer curve clearly exhibits ambipolar transistor behavior with an ON-OFF ratio of ∼5 × 10(3). The band gap was determined as ≅0.35 eV from the transfer curve, and Hall-effect measurements revealed that the hole mobility was ∼190 cm(2)/(V s) at 170 K, which is 1 order of magnitude larger than the electron mobility. By inducing an ultrahigh carrier density of ∼10(14) cm(-2), an electric-field-induced transition from the insulating state to the metallic state was realized, due to both electron and hole doping. Our results suggest that black phosphorus will be a good candidate for the fabrication of functional devices, such as lateral p-n junctions and tunnel diodes, due to the intrinsic narrow band gap.

  18. Nonequilibrium steady states in correlated electron systems - Photoinduced insulator-metal transition and optical response

    International Nuclear Information System (INIS)

    Tsuji, Naoto; Oka, Takashi; Aoki, Hideo


    To reveal the nature of the photoinduced insulator-metal transition, we show that an exact analysis of the Falicov-Kimball model subject to external ac electric fields becomes possible with Floquet's method combined with the nonequilibrium dynamical mean-field theory. The nonequilibrium steady state that appears during irradiation of a pump light is shown to be determined if the dissipation in a certain heat-bath model is introduced. This has enabled us to predict that novel features characteristic of the photoexcited steady states, i.e., negative weight (gain) in the low-energy region and dip structures around the photon energy of the pump light, should be observed in the optical conductivity. Special emphasis is put on the role of dissipation, for which we elaborate the dependence of the steady state on the strength of dissipation and the temperature of the heat bath.

  19. Electronic Structure of the Pyrochlore-Type Ru Oxides through the Metal--Insulator Transition

    International Nuclear Information System (INIS)

    Okamoto, J.; Fujimori, S.I.; Okane, T.; Fujimori, A.; Abbate, M.; Yoshii, S.; Sato, M.


    The electronic structures of the pyrochlore-type Ru oxides Sm 2-x Ca x Ru 2 O 7 and Sm 2-x Bi x Ru 2 O 7 , which show metal-insulator transition with increasing Ca or Bi concentration, have been studied by ultraviolet photoemission spectroscopy. Spectral changes near the Fermi level are different but reflect the tendency of their transport properties in both systems. The Sm 2-x Ca x Ru 2 O 7 system shows an energy shift, which is expected from the increase of hole in the Ru 4d t 2g band and the Sm 2 - x Bi x Ru 2 O 7 system shows spectral weight transfer within the Ru 4d t 2g band, which is expected to be observed in bandwidth-control Mott-Hubbard system. (author)

  20. Metal-to-insulator transition in thin-film polymeric AC60

    International Nuclear Information System (INIS)

    Macovez, Roberto; Shan Junjun; Venema, Luc; Rudolf, Petra; Hunt, Michael R C; Goldoni, Andrea; Castellarin-Cudia, Carla; Pichler, Thomas; Pedio, Maddalena; Moras, Paolo; Schiessling, Joachim


    We present an electron spectroscopy study of phase-pure AC 60 thin films (A= Rb, Cs) in their monomer (face-centred cubic (fcc)) and polymer phases. A surface electronic reconstruction is observed in polymeric RbC 60 , analogous to that reported for the fcc phase. As for pristine C 60 , the occupied electronic states of AC 60 fullerides are not dramatically affected by polymerization. The energy separation between the leading feature in photoemission and inverse photoemission is similar in both stable AC 60 phases. These observations suggest that electron correlation effects are similar in the two phases, and that their different electronic behaviour is mainly related to the reduction of degeneracy of the polymer frontier states. Photoemission and electron-energy loss spectroscopy data show that the thin-film form of the RbC 60 polymer is metallic at room temperature, and that it undergoes a metal-insulator transition at around 100 K. This transition temperature is much higher than that reported for the corresponding bulk phase and signals a poorer screening of Coulomb interactions at the film surface.

  1. New Light on the Metal-Insulator Transition in VO2: A Terahertz Perspective

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd; Fischer, Bernd M.; Thoman, Andreas


    We investigate the metal-insulator (MI) transition in vanadium dioxide (VO2), thin films with Terahertz Time-Domains Spectroscopy (THz-TDS). The capability of detecting both amplitude and phase of the transmission characteristics as the phase of the transmitted THz signal switches at a markedly...

  2. Quantum chemical studies of the physics around the metal-insulator transition in (EDO-TTF)2PF6

    NARCIS (Netherlands)

    Linker, Gerrit-Jan


    In this thesis, the physics of molecular charge transfer crystals is studied by using quantum chemical methods. We looked in detail at the metal insulator phase transition in the (EDO TTF)2PF6 molecular crystal and also into related geometrical reorganisations and charge ordering phenomena. Unlike

  3. Critical metal-insulator transition and divergence in a two-particle irreducible vertex in disordered and interacting electron systems

    Czech Academy of Sciences Publication Activity Database

    Janiš, Václav; Pokorný, Vladislav


    Roč. 90, č. 4 (2014), "045143-1"-"045143-11" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : metal-insulator transition * disordered and interacting electron systems * dynamical mean-field theory * critical behavior Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  4. Metal-insulator transition in NiS.sub.2-x./sub.Se.sub.x./sub

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Baldassarre, L.; Schachner, B.; Rabia, K.; Kuntscher, C.A.; Korotin, D. M.; Anisimov, V.I.; McLeod, J.A.; Kurmaev, E.Z.; Moewes, A.


    Roč. 81, č. 3 (2010), 035112/1-035112/6 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : metal-insulator transition * dynamical mean-field theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.772, year: 2010

  5. Metal-Insulator Phase Transition in Quasi-One-Dimensional VO2 Structures

    Directory of Open Access Journals (Sweden)

    Woong-Ki Hong


    Full Text Available The metal-insulator transition (MIT in strongly correlated oxides has attracted considerable attention from both theoretical and experimental researchers. Among the strongly correlated oxides, vanadium dioxide (VO2 has been extensively studied in the last decade because of a sharp, reversible change in its optical, electrical, and magnetic properties at approximately 341 K, which would be possible and promising to develop functional devices with advanced technology by utilizing MITs. However, taking the step towards successful commercialization requires the comprehensive understanding of MIT mechanisms, enabling us to manipulate the nature of transitions. In this regard, recently, quasi-one-dimensional (quasi-1D VO2 structures have been intensively investigated due to their attractive geometry and unique physical properties to observe new aspects of transitions compared with their bulk counterparts. Thus, in this review, we will address recent research progress in the development of various approaches for the modification of MITs in quasi-1D VO2 structures. Furthermore, we will review recent studies on realizing novel functional devices based on quasi-1D VO2 structures for a wide range of applications, such as a gas sensor, a flexible strain sensor, an electrical switch, a thermal memory, and a nonvolatile electrical memory with multiple resistance.

  6. Oxygen Vacancy Induced Room-Temperature Metal-Insulator Transition in Nickelate Films and Its Potential Application in Photovoltaics. (United States)

    Wang, Le; Dash, Sibashisa; Chang, Lei; You, Lu; Feng, Yaqing; He, Xu; Jin, Kui-juan; Zhou, Yang; Ong, Hock Guan; Ren, Peng; Wang, Shiwei; Chen, Lang; Wang, Junling


    Oxygen vacancy is intrinsically coupled with magnetic, electronic, and transport properties of transition-metal oxide materials and directly determines their multifunctionality. Here, we demonstrate reversible control of oxygen content by postannealing at temperature lower than 300 °C and realize the reversible metal-insulator transition in epitaxial NdNiO₃ films. Importantly, over 6 orders of magnitude in the resistance modulation and a large change in optical bandgap are demonstrated at room temperature without destroying the parent framework and changing the p-type conductive mechanism. Further study revealed that oxygen vacancies stabilized the insulating phase at room temperature is universal for perovskite nickelate films. Acting as electron donors, oxygen vacancies not only stabilize the insulating phase at room temperature, but also induce a large magnetization of ∼50 emu/cm³ due to the formation of strongly correlated Ni²⁺ t(2g)⁶e(g)² states. The bandgap opening is an order of magnitude larger than that of the thermally driven metal-insulator transition and continuously tunable. Potential application of the newly found insulating phase in photovoltaics has been demonstrated in the nickelate-based heterojunctions. Our discovery opens up new possibilities for strongly correlated perovskite nickelates.

  7. Realizing the insulator-to-metal transition in Se-hyperdoped Si via non-equilibrium material processing (United States)

    Liu, Fang; Prucnal, S.; Berencén, Y.; Zhang, Zhitao; Yuan, Ye; Liu, Yu; Heller, R.; Böttger, R.; Rebohle, L.; Skorupa, W.; Helm, M.; Zhou, Shengqiang


    We report on the insulator-to-metal transition in Se-hyperdoped Si layers driven by manipulating the Se concentration via non-equilibrium material processing, i.e. ion implantation followed by millisecond-flash lamp annealing. Electrical transport measurements reveal an increase of the carrier concentration and conductivity with the increasing Se concentration. For the semi-insulating sample with Se concentrations below the Mott limit, quantitative analysis of the temperature dependence of the conductivity indicates a variable-range hopping mechanism with an exponent of s  =  1/2 rather than 1/4, which implies a Coulomb gap at the Fermi level. The observed insulator-to-metal transition is attributed to the formation of an intermediate band in the Se-hyperdoped Si layers.

  8. Metal Insulator Transition of Cr doped V2O3 calculated by hybrid density functional


    Guo, Yuzheng; Clark, Stewart J.; Robertson, John


    The electronic structure of vanadium sesquioxide in its different phases has been calculated using the screened exchange (sX) hybrid functional. The hybrid functional reproduces the electronic properties of all three phases, the paramagnetic metal (PM) phase, the anti-ferromagnetic insulating phase, and the Cr-doped paramagnetic insulating (PI) phase. A fully relaxed supercell model of Cr-doped V2O3 has a polaronic distortion around the substitutional Cr atoms and this local strain drives the...

  9. Metal-insulator transition of alloyed radical cation salts, (MexEDO-TTF)2PF6 (United States)

    Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi; Uruichi, Mikio; Yakushi, Kyuya; Tanaka, Koichiro


    Ternary radical cation salts containing ethylenedioxytetrathiafulvalene, its mono-methyl substituted derivative, and hexafluorophosphate, [(EDO-TTF)1-x(MeEDO-TTF)x]2PF6 (x=mole fraction of MeEDO-TTF, x=0.01-0.13) were prepared by electrooxidation. Mole fractions of EDO-TTF and MeEDO-TTF in EDO-TTF rich alloys were consistent with the donor mixing ratios in preparation. Crystal structures of these alloys at room temperature were isostructural to that of (EDO-TTF)2PF6, where the donor molecules formed a nearly uniform stacking column to give a quasi-one-dimensional Fermi surface. The alloys exhibited a metal-insulator transition with tetramerization within the donor stack and anion-ordering. Temperature-variable structural analysis and Raman spectra revealed that the charge-ordering took place in the low temperature phase of x=0.05 alloy, however, this feature vanished in the x=0.13 alloy. The phase transition temperature decreased with increasing x value from 279 K of pristine (EDO-TTF)2PF6 to 188 K of x=0.13 alloy.

  10. Structural distortion on metal-insulator transition in ordered double perovskite Ca sub 2 FeReO sub 6

    CERN Document Server

    Oikawa, K; Kato, H; Tokura, Y


    The crystal and magnetic structures of an ordered double perovskite, Ca sub 2 FeReO sub 6 , were studied by high-resolution neutron powder diffraction as a function of the temperature from 7 K to 550 K. All of the diffraction data were precisely refined by the Rietveld method, and we confirmed a structural phase transition at around 140 K where the metal-insulator transition occurs from ferrimagnetic metal (FM) to ferrimagnetic insulator (FI) phases. At this temperature, there exists a change in the distortion direction of [ReO sub 6] octahedra together with a spin reorientation, which strongly supports the occurrence of orbital ordering of the t sub 2 sub g electrons. FM and FI phases coexist in a narrow temperature range at around 140 K, which is typically seen in the first-order phase transition. A phase separation was not detected in our well-characterized sample. (author)

  11. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film

    Directory of Open Access Journals (Sweden)

    Wei Xun


    Full Text Available Based on first-principles calculations, the BaTiO3(BTO film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investigation can provide an alternative avenue in modification of surface property and surface screening effect in polar materials.

  12. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film (United States)

    Xun, Wei; Hao, Xiang; Pan, Tao; Zhong, Jia-Lin; Ma, Chun-Lan; Hou, Fang; Wu, Yin-Zhong


    Based on first-principles calculations, the BaTiO3(BTO) film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investigation can provide an alternative avenue in modification of surface property and surface screening effect in polar materials.

  13. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film


    Wei Xun; Xiang Hao; Tao Pan; Jia-Lin Zhong; Chun-Lan Ma; Fang Hou; Yin-Zhong Wu


    Based on first-principles calculations, the BaTiO3(BTO) film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investiga...

  14. Dynamic phase coexistence and non-Gaussian resistance fluctuations in VO2 near the metal-insulator transition (United States)

    Samanta, Sudeshna; Raychaudhuri, A. K.; Zhong, Xing; Gupta, A.


    We have carried out an extensive investigation on the resistance fluctuations (noise) in an epitaxial thin film of VO2 encompassing the metal-insulator transition (MIT) region to investigate the dynamic phase coexistence of metal and insulating phases. Both flicker noise as well as the Nyquist noise (thermal noise) were measured. The experiments showed that flicker noise, which has a 1 /f spectral power dependence, evolves with temperature in the transition region following the evolution of the phase fractions and is governed by activated kinetics. Importantly, closer to the insulating end of the transition, when the metallic phase fraction is low, the magnitude of the noise shows an anomaly and a strong non-Gaussian component of noise develops. In this region, the local electron temperature (as measured through the Nyquist noise thermometry) shows a deviation from the equilibrium bath temperature. It is proposed that this behavior arises due to current crowding where a substantial amount of the current is carried through well separated small metallic islands leading to a dynamic correlated current path redistribution and an enhanced effective local current density. This leads to a non-Gaussian component to the resistance fluctuation and an associated local deviation of the electron temperature from the bath. Our experiment establishes that phase coexistence leads to a strong inhomogeneity in the region of MIT that makes the current transport strongly inhomogeneous and correlated.

  15. Tuning the metal-insulator transition in NdNiO3 thin films (United States)

    Shiyani, T.; Shekhada, K. G.; Savaliya, C. R.; Markna, J. H.


    The RNiO3 (R is rare earth) perovskites are famous for their metal to insulator transition (MIT). The temperature can be transformed and depends on the nature of the rare earth. The MIT in thin films and heterostructures of RNiO3 propose the chance to control the MIT as a function of thickness via strain using different substrates. We have reported the electrical transport properties of NdNiO3/NdGaO3, and NNO/NGO/STO structures. These structures were fabricated by pulsed laser deposition (PLD) method. The temperature of the MIT changes from 155K to 195 K. The electrical resistivity of the heterostructures undergoes MIT, depending on the thickness and deposition conditions. Thickness and deposition temperature were found to have a great impact on the electrical transport properties. The shift in TMI changes with thickness and it larger for thinner NdNiO3. The MIT of NNO thin films is responsive to strain and its partial relaxation creates an inhomogeneous strain field that broadens the MIT. This study may be potentially applicable to Mott transistor devices.

  16. Hyperfine spectroscopic study of the metal-insulator transition in V/sub 2/O/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Forker, M.; Saitovitch, H.; de Jesus Silva, P.R. (Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro)


    The metal-insulator (M-I) transition in vanadium sesquioxide V/sub 2/O/sub 3/ has been investigated by time differential perturbed angular correlation measurements of the electric field gradient (EFG) and the magnetic hyperfine field at dilute /sup 111/Cd impurities. The EFG undergoes a first-order change at the M-I transition at 160 K, but does not reflect the high temperature resistivity anomaly. The increase of the EFG with temperature in the metallic phase can be attributed to thermal variations of the oxygen sublattice. The temperature dependence of the magnetic hyperfine field in the insulating phase follows a Brioullin function with a saturation value of 15 KOe and an extrapolated Neel temperature, which, depending on the impurity concentration, varies between 188 and 230 K.

  17. Dynamically tracking the joule heating effect on the voltage induced metal-insulator transition in VO2 crystal film

    Directory of Open Access Journals (Sweden)

    G. M. Liao


    Full Text Available Insulator to metal phase transitions driven by external electric field are one of the hottest topics in correlated oxide study. While this electric triggered phenomena always mixes the electric field switching effect and joule thermal effect together, which are difficult to clarify the intrinsic mechanism. In this paper, we investigate the dynamical process of voltage-triggered metal-insulator transition (MIT in a VO2 crystal film and observe the temperature dependence of the threshold voltages and switching delay times, which can be explained quite well based on a straightforward joule thermal model. By conducting the voltage controlled infrared transmittance measurement, the delayed infrared transmission change is also observed, further confirming the homogeneous switching process for a large-size film. All of these results show strong evidences that joule thermal effect plays a dominated role in electric-field-induced switching of VO2 crystal.

  18. Superconductivity in thallium double atomic layer and transition into an insulating phase intermediated by a quantum metal state (United States)

    Ichinokura, S.; Bondarenko, L. V.; Tupchaya, A. Y.; Gruznev, D. V.; Zotov, A. V.; Saranin, A. A.; Hasegawa, S.


    We report on the first observation of superconductivity in a double atomic layer of Tl on Si(1 1 1) using in situ electrical resistivity measurements in ultrahigh vacuum. The structure of the Tl bilayer was characterized by a set of techniques, including scanning tunneling microscopy, electron diffraction and photoemission spectroscopy, which confirmed the metastability and metallic nature of the Tl bilayer. The epitaxial growth of atomically thin ‘soft’ metallic film over the entire surface of substrate enabled us to find a macroscopic superconducting transition at 0.96 K, accompanied by thermal and quantum fluctuations of order parameter. The system also demonstrates a perpendicular-magnetic-field-induced superconductor-insulator transition, together with an intermediate metallic state. We have found that the magnetoresitivity at the lowest temperature is consistent with the Bose metal picture, which is a consequence of strong quantum fluctuations.

  19. Metal-insulator-superconductor transition of spin-3/2 atoms on optical lattices (United States)

    De Silva, Theja N.


    We use a slave-rotor approach within a mean-field theory to study the competition of metallic, Mott-insulating, and superconducting phases of spin-3/2 fermions subjected to a periodic optical lattice potential. In addition to the metallic, the Mott-insulating, and the superconducting phases that are associated with the gauge symmetry breaking of the spinon field, we identify an emerging superconducting phase that breaks both roton and spinon field gauge symmetries. This superconducting phase emerges as a result of the competition between spin-0 singlet and spin-2 quintet interaction channels naturally available for spin-3/2 systems. The two superconducting phases can be distinguished from each other by quasiparticle weight. We further discuss the properties of these phases for both two-dimensional square and three-dimensional cubic lattices at zero and finite temperatures.

  20. First-principles study of pressure-induced metal-insulator transition in BiNiO3 (United States)

    Cai, M. Q.; Yang, G. W.; Tan, X.; Cao, Y. L.; Wang, L. L.; Hu, W. Y.; Wang, Y. G.


    First-principles calculation is used to study the pressure-induced metal-insulator transition in BiNiO3. It is found that the G-antiferromagnetic insulator triclinic phase in BiNiO3 transforms to the ferromagnetic half-metallic orthorhombic phase with a volume collapse of 6.2% when the applied pressure is 3.46GPa. The interaction between neighbor Ni atoms creates the energy band gap of 1.96eV in the majority density of states. The pressure suppresses the charge disproportion of Bi. The strong hybridizations of Ni-O and Bi-O lead to the decrease of the spin magnetic moment with 1.74μB compared with the Ni3+ with d7 configuration 3μB.

  1. Stochastic IMT (Insulator-Metal-Transition Neurons: An Interplay of Thermal and Threshold Noise at Bifurcation

    Directory of Open Access Journals (Sweden)

    Abhinav Parihar


    Full Text Available Artificial neural networks can harness stochasticity in multiple ways to enable a vast class of computationally powerful models. Boltzmann machines and other stochastic neural networks have been shown to outperform their deterministic counterparts by allowing dynamical systems to escape local energy minima. Electronic implementation of such stochastic networks is currently limited to addition of algorithmic noise to digital machines which is inherently inefficient; albeit recent efforts to harness physical noise in devices for stochasticity have shown promise. To succeed in fabricating electronic neuromorphic networks we need experimental evidence of devices with measurable and controllable stochasticity which is complemented with the development of reliable statistical models of such observed stochasticity. Current research literature has sparse evidence of the former and a complete lack of the latter. This motivates the current article where we demonstrate a stochastic neuron using an insulator-metal-transition (IMT device, based on electrically induced phase-transition, in series with a tunable resistance. We show that an IMT neuron has dynamics similar to a piecewise linear FitzHugh-Nagumo (FHN neuron and incorporates all characteristics of a spiking neuron in the device phenomena. We experimentally demonstrate spontaneous stochastic spiking along with electrically controllable firing probabilities using Vanadium Dioxide (VO2 based IMT neurons which show a sigmoid-like transfer function. The stochastic spiking is explained by two noise sources - thermal noise and threshold fluctuations, which act as precursors of bifurcation. As such, the IMT neuron is modeled as an Ornstein-Uhlenbeck (OU process with a fluctuating boundary resulting in transfer curves that closely match experiments. The moments of interspike intervals are calculated analytically by extending the first-passage-time (FPT models for Ornstein-Uhlenbeck (OU process to include a

  2. Metal-insulator transition and nonlinear optical responseof sputter-deposited V3O5 thin films (United States)

    Rúa, Armando; Díaz, Ramón D.; Kumar, Nardeep; Lysenko, Sergiy; Fernández, Félix E.


    The compound V3O5, a member of the vanadium oxide Magnéli series, exhibits a metal-insulator transition near 430 K, the highest known temperature value among all vanadium oxides. It has been studied before mainly in single-crystal form, and for the very few cases in which thin films have been fabricated before, the procedure has required extensive post-deposition annealing of other oxides or vanadium metal at high temperatures in tightly controlled atmospheres. For the present work, V3O5 films were deposited directly on SiO2 glass substrates, without subsequent annealing, by DC magnetron sputtering. X-ray diffraction study of the samples evidenced oxygen deficiency, accommodated by oxygen vacancies. Resistivity measurements from 300 to 500 K revealed the metal-insulator transition by Tc ˜ 430 K, with an associated resistivity change by a factor of 20, and no detectable hysteresis in heating-cooling cycles, in agreement with most single-crystal studies. Resistivity values obtained were, however, lower than published results for bulk crystal values, particularly at temperatures below Tc. This was attributed to conduction electrons generated by the oxygen vacancies. Gradual resistivity increase in a very thin sample, through heating in air at temperatures up to 500 K, lends support to this argument. Using a pump-probe scattering technique, the V3O5 films were also probed for ultrafast nonlinear optical response. A reduction in the transient relative scattered light signal was recorded, which reached -10% within ˜800 fs. This observed response, likely related to the photoinduced insulator-to-metal phase transition, should stimulate additional interest in this material.

  3. Resistance noise spectroscopy across the thermally and electrically driven metal-insulator transitions in VO2 nanobeams (United States)

    Alsaqqa, Ali; Kilcoyne, Colin; Singh, Sujay; Horrocks, Gregory; Marley, Peter; Banerjee, Sarbajit; Sambandamurthy, G.

    Vanadium dioxide (VO2) is a strongly correlated material that exhibits a sharp thermally driven metal-insulator transition at Tc ~ 340 K. The transition can also be triggered by a DC voltage in the insulating phase with a threshold (Vth) behavior. The mechanisms behind these transitions are hotly discussed and resistance noise spectroscopy is a suitable tool to delineate different transport mechanisms in correlated systems. We present results from a systematic study of the low frequency (1 mHz noise behavior in VO2 nanobeams across the thermally and electrically driven transitions. In the thermal transition, the power spectral density (PSD) of the resistance noise is unchanged as we approach Tc from 300 K and an abrupt drop in the magnitude is seen above Tc and it remains unchanged till 400 K. However, the noise behavior in the electrically driven case is distinctly different: as the voltage is ramped from zero, the PSD gradually increases by an order of magnitude before reaching Vth and an abrupt increase is seen at Vth. The noise magnitude decreases above Vth, approaching the V = 0 value. The individual roles of percolation, Joule heating and signatures of correlated behavior will be discussed. This work is supported by NSF DMR 0847324.

  4. Photoinduced insulator-to-metal transition in ZnO/Mg_0.15_Zn_0.85_O heterostructures


    塚崎, 敦; Tsukazaki, Atsushi; 大友, 明; Ohtomo, Akira; 中野, 匡規; Nakano, Masaki; 川崎, 雅司; Kawasaki, Masashi


    We report on the persistent photoconductivity accompanied with a steep insulator-to-metal transition at low temperatures in ZnO/Mg0.15Zn0.85O heterostructures. The photoexcited electrons were confined in the ZnO adjacent to the Mg0.15Zn0.85O to form a two-dimensional electron gas (2DEG). The electron density was controlled either by the power or number of ultraviolet laser pulses (266 nm wavelength) irradiated to the sample. The 2DEG exhibits Shubnikov-de Haas oscillation in magnetoresistance...

  5. Influence of the disorder in doped germanium changed by compensation on the critical indices of the metal-insulator transition

    International Nuclear Information System (INIS)

    Rentzsch, R.; Reich, Ch.; Ionov, A.N.; Ginodman, V.; Slimak, I.; Fozooni, P.; Lea, M.J.


    We present a critical review of the present status of the critical exponent puzzle of the metal-insulator transition of doped semiconductors with the emphasis on the role of meso- and macroscopy inhomogeneity caused by the disorder of acceptors and donors in the crystals. By using the isotopic and engineering and the neutron transmutation doping of germanium we found for low compensations (at K = 1.4 and 12%) that the critical exponents of the localization length and the dielectric constant are nearly ν = 1/2 and ξ = 1, which double for medium compensations (at K = 39 and 54%) to ν 1 and ξ = 2, respectively

  6. Insulator-metal transition in substrate-independent VO2 thin film for phase-change devices. (United States)

    Taha, Mohammad; Walia, Sumeet; Ahmed, Taimur; Headland, Daniel; Withayachumnankul, Withawat; Sriram, Sharath; Bhaskaran, Madhu


    Vanadium has 11 oxide phases, with the binary VO 2 presenting stimuli-dependent phase transitions that manifest as switchable electronic and optical features. An elevated temperature induces an insulator-to-metal transition (IMT) as the crystal reorients from a monoclinic state (insulator) to a tetragonal arrangement (metallic). This transition is accompanied by a simultaneous change in optical properties making VO 2 a versatile optoelectronic material. However, its deployment in scalable devices suffers because of the requirement of specialised substrates to retain the functionality of the material. Sensitivity to oxygen concentration and larger-scale VO 2 synthesis have also been standing issues in VO 2 fabrication. Here, we address these major challenges in harnessing the functionality in VO 2 by demonstrating an approach that enables crystalline, switchable VO 2 on any substrate. Glass, silicon, and quartz are used as model platforms to show the effectiveness of the process. Temperature-dependent electrical and optical characterisation is used demonstrating three to four orders of magnitude in resistive switching, >60% chromic discrimination at infrared wavelengths, and terahertz property extraction. This capability will significantly broaden the horizon of applications that have been envisioned but remained unrealised due to the lack of ability to realise VO 2 on any substrate, thereby exploiting its untapped potential.

  7. Interplay between Ferroelastic and Metal-Insulator Phase Transitions in Strained Quasi-Two-Dimensional VO2 Nanoplatelets

    Energy Technology Data Exchange (ETDEWEB)

    Tselev, Alexander [ORNL; Strelcov, Evgheni [Southern Illinois University; Luk' yanchuk, Prof. Igor A. [University of Picardie Jules Verne, Amiens, France; Ivanov, Ilia N [ORNL; Budai, John D [ORNL; Tischler, Jonathan Zachary [ORNL; Jones, Keith M [ORNL; Proksch, Roger [Asylum Research, Santa Barbara, CA; Kalinin, Sergei V [ORNL; Kolmakov, Andrei [ORNL


    Formation of ferroelastic twin domains in VO_2 nanosystems can strongly affect local strain distributions, and hence couple to the strain-controlled metal-insulator transition. Here we report polarized-light optical and scanning microwave microscopy studies of interrelated ferroelastic and metal-insulator transitions in single-crystalline vanadium dioxide (VO_2) quasi-two-dimensional (quasi-2D) nanoplatelets (NPls). In contrast to quasi-1D single-crystalline nanobeams, the geometric frustration results in emergence of several possible families of ferroelastic domains in NPls, thus allowing systematic studies of strain-controlled transitions in the presence of geometrical frustration. We demonstrate possibility of controlling the ferroelastic domain population by the strength of the NPl-substrate interaction, mechanical stress, and by the NPl lateral size. Ferroelastic domain species and domain walls are identified based on standard group-theoretical considerations. Using variable temperature microscopy, we imaged the development of domains of metallic and semiconducting phases during the metal-insulator phase transition and non-trivial strain-driven reentrant domain formation. A long-range reconstruction of ferroelastic structures accommodating metal-insulator domain formation has been observed. These studies illustrate that complete picture of the phase transitions in single-crystalline and disordered VO_2 structures can be drawn only if both ferroelastic and metal-insulator strain effects are taken into consideration and understood.

  8. Field-induced quantum metal-insulator transition in the pyrochlore iridate Nd2Ir2O7 (United States)

    Tian, Zhaoming; Kohama, Yoshimitsu; Tomita, Takahiro; Ishizuka, Hiroaki; Hsieh, Timothy H.; Ishikawa, Jun J.; Kindo, Koichi; Balents, Leon; Nakatsuji, Satoru


    The metal-insulator transition (MIT) is a hallmark of strong correlation in solids. Quantum MITs at zero temperature have been observed in various systems tuned by either carrier doping or bandwidth. However, such transitions have rarely been induced by application of magnetic field, as normally the field scale is too small in comparison with the charge gap, whose size is a fraction of the Coulomb repulsion energy (~1 eV). Here we report the discovery of a quantum MIT tuned by a field of ~10 T, whose magnetoresistance exceeds 60,000%. In particular, our anisotropic magnetotransport measurements on the cubic insulator Nd2Ir2O7 (ref. ) reveal that the insulating state can be suppressed by such a field to a zero-temperature quantum MIT, but only for fields near the [001] axis. The strong sensitivity to the field direction is remarkable for a cubic crystal, as is the fact that the MIT can be driven by such a small magnetic field, given the 45 meV gap energy, which is of order of 50 times the Zeeman energy for an Ir4+ spin. The systematic change in the MIT from continuous near zero field to first order under fields indicates the existence of a tricritical point proximate to the quantum MIT. We argue that these phenomena imply both strong correlation effects on the Ir electrons and an active role for the Nd spins.

  9. Topotactic Metal-Insulator Transition in Epitaxial SrFeO x Thin Films

    International Nuclear Information System (INIS)

    Khare, Amit; Shin, Dongwon; Yoo, Tae Sup; Kim, Minu; Kang, Tae Dong


    Multivalent transition metal oxides provide fascinating and rich physics related to oxygen stoichiometry. In particular, the adoptability of various valence states of transition metals enables perovskite oxides to display mixed (oxygen) ionic and electronic conduction and catalytic activity useful in many practical applications, including solid-oxide fuel cells (SOFCs), rechargeable batteries, gas sensors, and memristive devices. For proper realization of the ionic conduction and catalytic activity, it is essential to understand the reversible oxidation and reduction process, which is governed by oxygen storage/release steps in oxides. Topotactic phase transformation facilitates the redox process in perovskites with specific oxygen vacancy ordering by largely varying the oxygen concentration of a material without losing the lattice framework. The concentration and diffusion of oxide ions (O 2– ), the valence state of the transition metal cations, and the thermodynamic structural integrity together provide fundamental understanding and ways to explicitly control the redox reaction.[6] In addition, it offers an attractive route for tuning the emergent physical properties of transition metal oxides, via strong coupling between the crystal lattice and electronic structure.

  10. Interaction between extended and localized electronic states in the region of the metal to insulator transition in semiconductor alloys

    International Nuclear Information System (INIS)

    Teubert, Joerg


    The first part of this work addresses the influence of those isovalent localized states on the electronic properties of (B,Ga,In)As. Most valuable were the measurements under hydrostatic pressure that revealed a pressure induced metal-insulator transition. One of the main ideas in this context is the trapping of carriers in localized B-related cluster states that appear in the bandgap at high pressure. The key conclusion that can be drawn from the experimental results is that boron atoms seem to have the character of isovalent electron traps, rendering boron as the first known isovalent trap induced by cationic substitution. In the second part, thermoelectric properties of (B,Ga,In)As and (Ga,In)(N,As) are studied. It was found that although the electric-field driven electronic transport in n-type (Ga,In)(N,As) and (B,Ga,In)As differs considerably from that of n-type GaAs, the temperature-gradient driven electronic transport is very similar for the three semiconductors, despite distinct differences in the conduction band structure of (Ga,In)(N,As) and (B,Ga,In)As compared to GaAs. The third part addresses the influence of magnetic interactions on the transport properties near the metal-insulator transition (MIT). Here, two scenarios are considered: Firstly the focus is set on ZnMnSe:Cl, a representative of so called dilute magnetic semiconductors (DMS). In this material Mn(2+) ions provide a large magnetic moment due to their half filled inner 3d-shell. It is shown that magnetic interactions in conjunction with disorder effects are responsible for the unusual magnetotransport behavior found in this and other II-Mn-VI semiconductor alloys. In the second scenario, a different magnetic compound, namely InSb:Mn, is of interest. It is a representative of the III-Mn-V DMS, where the magnetic impurity Mn serves both as the source of a large localized magnetic moment and as the source of a loosely bound hole due to its acceptor character. Up to now, little is known about

  11. Interaction between extended and localized electronic states in the region of the metal to insulator transition in semiconductor alloys

    Energy Technology Data Exchange (ETDEWEB)

    Teubert, Joerg


    The first part of this work addresses the influence of those isovalent localized states on the electronic properties of (B,Ga,In)As. Most valuable were the measurements under hydrostatic pressure that revealed a pressure induced metal-insulator transition. One of the main ideas in this context is the trapping of carriers in localized B-related cluster states that appear in the bandgap at high pressure. The key conclusion that can be drawn from the experimental results is that boron atoms seem to have the character of isovalent electron traps, rendering boron as the first known isovalent trap induced by cationic substitution. In the second part, thermoelectric properties of (B,Ga,In)As and (Ga,In)(N,As) are studied. It was found that although the electric-field driven electronic transport in n-type (Ga,In)(N,As) and (B,Ga,In)As differs considerably from that of n-type GaAs, the temperature-gradient driven electronic transport is very similar for the three semiconductors, despite distinct differences in the conduction band structure of (Ga,In)(N,As) and (B,Ga,In)As compared to GaAs. The third part addresses the influence of magnetic interactions on the transport properties near the metal-insulator transition (MIT). Here, two scenarios are considered: Firstly the focus is set on ZnMnSe:Cl, a representative of so called dilute magnetic semiconductors (DMS). In this material Mn(2+) ions provide a large magnetic moment due to their half filled inner 3d-shell. It is shown that magnetic interactions in conjunction with disorder effects are responsible for the unusual magnetotransport behavior found in this and other II-Mn-VI semiconductor alloys. In the second scenario, a different magnetic compound, namely InSb:Mn, is of interest. It is a representative of the III-Mn-V DMS, where the magnetic impurity Mn serves both as the source of a large localized magnetic moment and as the source of a loosely bound hole due to its acceptor character. Up to now, little is known about

  12. The magnetic response at the metal-insulator transition in La1 - xSrxTiO3 (abstract) (United States)

    Osborn, R.; Aronson, M. C.; Goremychkin, E. A.; Greedan, J. E.


    We report on recent inelastic neutron scattering measurements of the magnetic response close to the metal-insulator transition in La1-xSrxTiO3. Specific heat and susceptibility data from Tokura et al. give evidence for a divergent effective mass at the critical concentration xc=0.05 in agreement with recent mean-field theories of the transition. The mass enhancement is believed to arise from the formation of a d-electron resonance at the Fermi energy close to the transition. The aim of this investigation is to look for evidence of this resonance in the dynamic magnetic susceptibility. We studied samples with x=0, 0.05, and 0.2 using incident energies between 25 and 200 meV. After correction for the phonon scattering, we observe a broad response above a threshold of 20-30 meV extending to over 100 meV. In addition, the Mott insulating antiferromagnet (x=0) has a peak at 40 meV, consistent with the estimated activation energy derived from resistivity measurements. This feature becomes washed out with temperature and doping. Possible origins for this peak are discussed.

  13. Thouless energy as a unifying concept for Josephson junctions tuned through the Mott metal-insulator transition (United States)

    Tahvildar-Zadeh, A. N.; Freericks, J. K.; Nikolić, B. K.


    The Thouless energy was introduced in the 1970s as a semiclassical energy for electrons diffusing through a finite-sized conductor. It turns out to be an important quantum-mechanical energy scale for many systems ranging from disordered metals to quantum chaos to quantum chromodynamics. In particular, it has been quite successful in describing the properties of Josephson junctions when the barrier is a diffusive normal-state metal. The Thouless energy concept can be generalized to insulating barriers by extracting an energy scale from the two-probe Kubo conductance of a strongly correlated electron system (metallic or insulating) via a generalized definition of the quantum-mechanical level spacing to many-body systems. This energy scale is known to determine the crossover from tunneling to Ohmic (thermally activated) transport in normal tunnel junctions. Here we use it to illustrate how the quasiclassical picture of transport in Josephson junctions is modified as the strongly correlated barrier passes through the Mott transition. Surprisingly, we find the quasiclassical form holds well beyond its putative realm of validity.

  14. Ca-site substitution induced a metal-insulator transition in manganite CaMnO3

    International Nuclear Information System (INIS)

    Sousa, D.; Nunes, M.R.; Silveira, C.; Matos, I.; Lopes, A.B.; Melo Jorge, M.E.


    A systematic study of the A-site doping in Mn(IV)-rich perovskite manganites Ca 1-x Ho x MnO 3 , over a large homogeneity range (0.1 ≤ x ≤ 0.4), has been performed. A significant increase in the lattice parameters indicated the presence of mixed valence state of Mn: Mn 3+ and Mn 4+ . The substitution of calcium by holmium also induces strong changes in the electrical properties. We found that small Ho concentration produces an important decrease in the electrical resistivity and induces an electrical transition, the temperature corresponding to the metal-insulator transition (T MI ) shifts with the holmium content. This electrical behavior is attributed to the Mn 3+ ions content and a charge order effect

  15. Current-induced metal-insulator transition in VO x thin film prepared by rapid-thermal-annealing

    International Nuclear Information System (INIS)

    Cho, Choong-Rae; Cho, SungIl; Vadim, Sidorkin; Jung, Ranju; Yoo, Inkyeong


    The phenomenon of metal-insulator transition (MIT) in polycrystalline VO x thin films and their preparations have been studied. The films were prepared by sputtering of vanadium thin films succeeded by Rapid Thermal Annealing (RTA) in oxygen ambient at 500 deg. C. Crystalline, compositional, and morphological characterizations reveal a continuous change of phase from vanadium metal to the highest oxide phase, V 2 O 5 , with the time of annealing. Electrical MIT switching has been observed in these films. Sweeping mode, electrode area, and temperature dependent MIT has been studied in Pt/VO x /Pt vertical structure. The important parameters for MIT in VO x have been found to be the current density and the electric field, which depend on carrier density in the films

  16. Absence of Mass Renormalization upon the Metal-Insulator Transition in La_1-xSr_xMnO_3 (United States)

    Okuda, T.; Asamitsu, A.; Tokura, Y.


    The low-temperature specific heat as well as the resistivity of La_1-xSr_xMnO3 crystals has been measured under magnetic fields to investigate the critical behavior of the metal-insulator (MI) transition, which is induced by carrier doping around a critical composition of x_c=0.17. We observed the reduction of specific heat by application of magnetic fields, which is due to the suppression of the contribution of spin wave. Thus, the magnetic contribution to the specific heat was carefully removed to extract the electronic contribution. The effective mass, derived from obtained electronic specific heat coefficient γ, is a few times as large as a bare mass in the ferromagnetic metallic state, e.g. γ = 3.5 (mJ/K^2 mole) at x=0.3, and does not critically increase around the critical point while showing the maximum value γ = 5.1 (mJ/K^2 mole) at x=0.18. This is in contrast with the conspicuous mass renormalization effect as observed for other transition metal oxide, eg. V_2O3 and LaTiO_3. The γ value rather decreases with the decrease of x from 0.18 to 0.15, namely in the immediate vicinity of the MI boundary. This suggests that the Fermi surface gradually shrinks towards the insulating phase and finally disappears at the MI phase boundary. This work was supported by New Energy and Industrial Technology Development Organization (NEDO) of Japan.

  17. Topotactic Metal-Insulator Transition in Epitaxial SrFeOx Thin Films. (United States)

    Khare, Amit; Shin, Dongwon; Yoo, Tae Sup; Kim, Minu; Kang, Tae Dong; Lee, Jaekwang; Roh, Seulki; Jung, In-Ho; Hwang, Jungseek; Kim, Sung Wng; Noh, Tae Won; Ohta, Hiromichi; Choi, Woo Seok


    Topotactic phase transformation enables structural transition without losing the crystalline symmetry of the parental phase and provides an effective platform for elucidating the redox reaction and oxygen diffusion within transition metal oxides. In addition, it enables tuning of the emergent physical properties of complex oxides, through strong interaction between the lattice and electronic degrees of freedom. In this communication, the electronic structure evolution of SrFeO x epitaxial thin films is identified in real-time, during the progress of reversible topotactic phase transformation. Using real-time optical spectroscopy, the phase transition between the two structurally distinct phases (i.e., brownmillerite and perovskite) is quantitatively monitored, and a pressure-temperature phase diagram of the topotactic transformation is constructed for the first time. The transformation at relatively low temperatures is attributed to a markedly small difference in Gibbs free energy compared to the known similar class of materials to date. This study highlights the phase stability and reversibility of SrFeO x thin films, which is highly relevant for energy and environmental applications exploiting the redox reactions. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. The metal-insulator transition of RNiO3 perovskites. What can we learn from neutron diffraction?

    International Nuclear Information System (INIS)

    Medarde, M.L.


    RNiO 3 perovskites (R = rare earth) provide a remarkable opportunity to study the relationship between structural and physical properties since by moving along the 4f rare earth series, the evolution of several transport and magnetic properties can be nicely correlated to the steric effects associated with the lanthanide contraction. The most appealing example is probably the metal-insulator transition discovered for the compounds with R≠La, whose critical temperature T M-I increases with decreasing size of the rare earth ion. In this lecture, a summary of the most relevant neutron diffraction results on this system is presented. Moreover, the nickelates are used as an example to illustrate the performance of the diffractometers HRPT and DMCG to be installed at the SINQ. (author) 12 figs., 2 tabs., 17 refs

  19. The metal-insulator transition of RNiO{sub 3} perovskites. What can we learn from neutron diffraction?

    Energy Technology Data Exchange (ETDEWEB)

    Medarde, M.L. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)


    RNiO{sub 3} perovskites (R = rare earth) provide a remarkable opportunity to study the relationship between structural and physical properties since by moving along the 4f rare earth series, the evolution of several transport and magnetic properties can be nicely correlated to the steric effects associated with the lanthanide contraction. The most appealing example is probably the metal-insulator transition discovered for the compounds with R{ne}La, whose critical temperature T{sub M-I} increases with decreasing size of the rare earth ion. In this lecture, a summary of the most relevant neutron diffraction results on this system is presented. Moreover, the nickelates are used as an example to illustrate the performance of the diffractometers HRPT and DMCG to be installed at the SINQ. (author) 12 figs., 2 tabs., 17 refs.

  20. Disorder induced metal-insulator transition in crystalline Ge{sub 1}Sb{sub 2}Te{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Volker, Hanno; Jost, Peter; Woda, Michael; Merkelbach, Philipp; Schlockermann, Carl; Wuttig, Matthias [1. Institute of Physics, RWTH Aachen (Germany); Siegrist, Theo [1. Institute of Physics, RWTH Aachen (Germany); Department of Chemical and Biochemical Engineering, FSU, Tallahassee, FL (United States)


    Localization of charge carriers in crystalline solids has been the subject of numerous investigations over more than half a century. Materials showing a metal to insulator transition (MIT) without a structural change are therefore of great interest. Concepts based on electron correlation (Mott) or disorder (Anderson) are often invoked to explain such an MIT, but a clear distinction between the two mechanisms is difficult. In this study we report the observation of an MIT in crystalline Ge{sub 1}Sb{sub 2}Te{sub 4} which is caused by disorder-induced localization in the 3-dimensional solid. A combination of X-ray diffraction experiments as well as optical (FT-IR) and electrical measurements reveals that the observed MIT is an intra-grain effect. The Hall carrier density barely changes during the MIT and is much higher than predicted by the Mott criterion. Therefore, the MIT is not of the Mott type, but driven by disorder.

  1. Optical Response of Cu1-xZnxIr2S4 Due to Metal--Insulator Transition

    International Nuclear Information System (INIS)

    Chen, L.; Matsunami, M.; Nanba, T.; Cao, G.; Suzuki, H.; Isobe, M.; Matsumoto, T.


    The mother material CuIr 2 S 4 of the thiospinel system Cu 1-x Zn x Ir 2 S 4 undergoes a temperature-induced metal--insulator (Mi) transition. We report the temperature dependence of the optical reflection spectra of Cu 1-x Zn x Ir 2 S 4 (x ≤ 0.5) at the temperatures of 8-300 K in the energy regions of 0.005--30 eV in order to study the change in the electronic structure due to the Zn substitution for Cu. Zn substitution induced mainly the splitting of the hybridization band between the Ir-5d(t 2g ) and S-3 p states crossing the E F . Obtained optical conductivity (σ ) spectrum is discussed in relation to the change in the electronic structure close to the E F . (author)

  2. Sharpness and intensity modulation of the metal-insulator transition in ultrathin VO2 films by interfacial structure manipulation (United States)

    McGee, Ryan; Goswami, Ankur; Pal, Soupitak; Schofield, Kalvin; Bukhari, Syed Asad Manzoor; Thundat, Thomas


    Vanadium dioxide (VO2) undergoes a structural transformation from monoclinic (insulator) to tetragonal (metallic) upon heating above 340 K, accompanied by abrupt changes to its electronic, optical, and mechanical properties. Not only is this transition scientifically intriguing, but there are also numerous applications in sensing, memory, and optoelectronics. Here we investigate the effect different substrates and the processing conditions have on the characteristics metal-insulator transition (MIT), and how the properties can be tuned for specific applications. VO2 thin films were grown on c -plane sapphire (0001) and p-type silicon by pulsed laser deposition. High-resolution x-ray diffraction along with transmission electron microscopy reveals textured epitaxial growth on sapphire by domain-matching epitaxy, while the presence of a native oxide layer on silicon prevented any preferential growth resulting in a polycrystalline film. An orientation relationship of (010)VO2|| (0001)Al 2O3 was established for VO2 grown on sapphire, while no such relationship was found for VO2 grown on silicon. Surface-energy minimization is the driving force behind grain growth, as the lowest energy VO2 plane grew on silicon, while on sapphire the desire for epitaxial growth was dominant. Polycrystallinity of films grown on silicon caused a weaker and less prominent MIT than observed on sapphire, whose MIT was higher in magnitude and steeper in slope. The position of the MIT was shown to depend on the competing effects of misfit strain and grain growth. Higher deposition temperatures caused an increase in the MIT, while compressive strain resulted in a decreased MIT.

  3. Volume-based considerations for the metal-insulator transition of CMR oxides

    Energy Technology Data Exchange (ETDEWEB)

    Neumeier, J.J. [Florida Atlantic Univ., Boca Raton, FL (United States). Dept. of Physics]|[Los Alamos National Lab., NM (United States). Condensed Matter and Thermal Physics Group; Hundley, M.F.; Cornelius, A.L. [Los Alamos National Lab., NM (United States). Condensed Matter and Thermal Physics Group; Andres, K. [Walther-Meissner-Inst. fuer Tieftemperaturforschung, Garching (Germany)


    The sensitivity of {rho} [electrical resistivity] to changes in volume which occur through: (1) applied pressure, (2) variations in temperature, and (3) phase transitions, is evaluated for some selected CMR oxides. It is argued that the changes in volume associated with phase changes are large enough to produce self pressures in the range of 0.18 to 0.45 GPa. The extreme sensitivity of the electrical resistivity to pressure indicates that these self pressures are responsible for large features in the electrical resistivity and are an important component for occurrence the metallicity below {Tc}. It is suggested that this is related to a strong volume dependence of the electron phonon coupling in the CMR oxides.

  4. Contact Radius and the Insulator-Metal Transition in Films Comprised of Touching Semiconductor Nanocrystals. (United States)

    Lanigan, Deanna; Thimsen, Elijah


    Nanocrystal assemblies are being explored for a number of optoelectronic applications such as transparent conductors, photovoltaic solar cells, and electrochromic windows. Majority carrier transport is important for these applications, yet it remains relatively poorly understood in films comprised of touching nanocrystals. Specifically, the underlying structural parameters expected to determine the transport mechanism have not been fully elucidated. In this report, we demonstrate experimentally that the contact radius, between touching heavily doped ZnO nanocrystals, controls the electron transport mechanism. Spherical nanocrystals are considered, which are connected by a circular area. The radius of this circular area is the contact radius. For nanocrystals that have local majority carrier concentration above the Mott transition, there is a critical contact radius. If the contact radius between nanocrystals is less than the critical value, then the transport mechanism is variable range hopping. If the contact radius is greater than the critical value, the films display behavior consistent with metallic electron transport.

  5. First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction (United States)

    Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.


    While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

  6. Luminescence from metals and insulators

    International Nuclear Information System (INIS)

    Crawford, O.H.


    The term luminescence is normally applied to light emission that is not explainable by the mechanisms discussed by the other speakers in this meeting. Specifically, it is not transition radiation, surface plasmon radiation, or bremsstrahlung. One normally thinks of luminescence as arising from one-electron transitions within a medium. This talk consists of an overview of luminescence from condensed matter under irradiation by either energetic particles or photons. The author begins with organic molecules, where luminescence is best understood, and then discusses inorganic insulators and metals. Finally, the dependence of yield upon projectile species and velocity is discussed, and predictions are made concerning the relative effectiveness of electrons, protons, and hydrogen atoms in exciting luminescence

  7. Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework. (United States)

    Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D; Nagao, Tadaaki; Cheetham, Anthony K


    Metal-organic frameworks (MOFs) are prone to exhibit phase transitions under stimuli such as changes in pressure, temperature, or gas sorption because of their flexible and responsive structures. Here we report that a dense MOF, ((CH3)2NH2)2[Li2Zr(C2O4)4], exhibits an abrupt increase in proton conductivity from topotactic hydration (H2O/Zr = 0.5), wherein one-fourth of the Li ions are irreversibly rearranged and coordinated by water molecules. This structure further transforms into a third crystalline structure by water uptake (H2O/Zr = 4.0). The abrupt increase in conductivity is reversible and is associated with the latter reversible structure transformation. The H2O molecules coordinated to Li ions, which are formed in the first step of the transformation, are considered to be the proton source, and the absorbed water molecules, which are formed in the second step, are considered to be proton carriers.

  8. Influence of oxygen flow rate on metal-insulator transition of vanadium oxide thin films grown by RF magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Xu; Liu, Xinkun; Li, Haizhu; Huang, Mingju [Henan University, Key Lab of Informational Opto-Electronical Materials and Apparatus, School of Physics and Electronics, Kaifeng (China); Zhang, Angran [South China Normal University, Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, Guangzhou (China)


    High-quality vanadium oxide (VO{sub 2}) films have been fabricated on Si (111) substrates by radio frequency (RF) magnetron sputtering deposition method. The sheet resistance of VO{sub 2} has a significant change (close to 5 orders of magnitude) in the process of the metal-insulator phase transition (MIT). The field emission-scanning electron microscope (FE-SEM) results show the grain size of VO{sub 2} thin films is larger with the increase of oxygen flow. The X-ray diffraction (XRD) results indicate the thin films fabricated at different oxygen flow rates grow along the (011) crystalline orientation. As the oxygen flow rate increases from 3 sccm to 6 sccm, the phase transition temperature of the films reduces from 341 to 320 K, the width of the thermal hysteresis loop decreases from 32 to 9 K. The thin films fabricated in the condition of 5 sccm have a high temperature coefficient of resistance (TCR) -3.455%/K with a small resistivity of 2.795 ρ/Ω cm. (orig.)

  9. Temperature and electric field induced metal-insulator transition in atomic layer deposited VO2 thin films (United States)

    Tadjer, Marko J.; Wheeler, Virginia D.; Downey, Brian P.; Robinson, Zachary R.; Meyer, David J.; Eddy, Charles R.; Kub, Fritz J.


    Amorphous vanadium oxide (VO2) films deposited by atomic layer deposition (ALD) were crystallized with an ex situ anneal at 660-670 °C for 1-2 h under a low oxygen pressure (10-4 to 10-5 Torr). Under these conditions the crystalline VO2 phase was maintained, while formation of the V2O5 phase was suppressed. Electrical transition from the insulator to the metallic phase was observed in the 37-60 °C range, with an ROFF/RON ratio of up to about 750 and ΔTC ≅ 7-10 °C. Lateral electric field applied across two-terminal device structures induced a reversible phase change, with a room temperature transition field of about 25 kV/cm in the VO2 sample processed with the 2 h long O2 anneal. Both the width and slope of the field induced MIT I-V hysteresis were dependent upon the VO2 crystalline quality.

  10. Metal-insulator transition in Pt-C nanowires grown by focused-ion-beam-induced deposition

    International Nuclear Information System (INIS)

    Fernandez-Pacheco, A.; Ibarra, M. R.; De Teresa, J. M.; Cordoba, R.


    We present a study of the transport properties of Pt-C nanowires created by focused-ion-beam (FIB)-induced deposition. By means of the measurement of the resistance while the deposit is being performed, we observe a progressive decrease in the nanowire resistivity with thickness, changing from 10 8 μΩ cm for thickness ∼20 nm to a lowest saturated value of 700 μΩ cm for thickness >150 nm. Spectroscopy analysis indicates that this dependence on thickness is caused by a gradient in the metal-carbon ratio as the deposit is grown. We have fabricated nanowires in different ranges of resistivity and studied their conduction mechanism as a function of temperature. A metal-insulator transition as a function of the nanowire thickness is observed. The results will be discussed in terms of the Mott-Anderson theory for noncrystalline materials. An exponential decrease in the conductance with the electric field is found for the most resistive samples, a phenomenon understood by the theory of hopping in lightly doped semiconductors under strong electric fields. This work explains the important discrepancies found in the literature for Pt-C nanostructures grown by FIB and opens the possibility to tune the transport properties of this material by an appropriate selection of the growth parameters.

  11. Metal-to-insulator transition induced by UV illumination in a single SnO2 nanobelt (United States)

    Viana, E. R.; Ribeiro, G. M.; de Oliveira, A. G.; González, J. C.


    An individual tin oxide (SnO2) nanobelt was connected in a back-gate field-effect transistor configuration and the conductivity of the nanobelt was measured at different temperatures from 400 K to 4 K, in darkness and under UV illumination. In darkness, the SnO2 nanobelts showed semiconductor behavior for the whole temperature range measured. However, when subjected to UV illumination the photoinduced carriers were high enough to lead to a metal-to-insulator transition (MIT), near room temperature, at T MIT = 240 K. By measuring the current versus gate voltage curves, and considering the electrostatic properties of a non-ideal conductor, for the SnO2 nanobelt on top of a gate-oxide substrate, we estimated the capacitance per unit length, the mobility and the density of carriers. In darkness, the density was estimated to be 5-10 × 1018 cm-3, in agreement with our previously reported result (Phys. Status Solid. RRL 6, 262-4 (2012)). However, under UV illumination the density of carriers was estimated to be 0.2-3.8 × 1019 cm-3 near T MIT, which exceeded the critical Mott density estimated to be 2.8 × 1019 cm-3 above 240 K. These results showed that the electrical properties of the SnO2 nanobelts can be drastically modified and easily tuned from semiconducting to metallic states as a function of temperature and light.

  12. Simultaneous spin-state-insulator-metal transition in Pr0.5Ca0.5CoO3

    International Nuclear Information System (INIS)

    Saitoh, T.; Yamashita, Y.; Todoroki, N.; Kyomen, T.; Itoh, M.; Higashiguchi, M.; Shimada, K.


    The temperature-induced paramagnetism in LaCoO 3 around 100 K has long been known as a characteristic phenomenon of this compound, but its interpretation is not settled yet. One reason is that the low-spin (LS) ground state and other intermediate-spin (IS) or high-spin (HS) states cannot be resolved completely because such states are populated by thermal excitation. Here we present a first observation of a distinct change in the electronic structure due to a pure LS-IS transition of a Co oxide; Pr 0.5 Ca 0.5 CoO 3 exhibits a simultaneous LS-IS and insulator-metal first-order phase transition around 90 K with increasing temperature. Because of the first- order nature of the transition, the IS phase is not populated by thermal excitation, which enables us to investigate the electronic structure of the LS- and IS-Co 3d states, independently. Figure 1 shows temperature-dependent photoemission spec- tra of Pr 0.5 Ca 0.5 CoO 3 . The leading peak A, which is Co 3d t 2g states, is rapidly suppressed from 70 K to 100 K. Compared with a theoretical calculation, this change should be representing the LS to IS spin-state transition. The observed change between the 'pure' LS and IS spectra will exclude the simple LS-HS scenario in LaCoO 3 and hence demonstrates the importance of the IS state in both excited states and the carrier-doped region

  13. Heteroepitaxial VO{sub 2} thin films on GaN: Structure and metal-insulator transition characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Zhou You; Ramanathan, Shriram [Harvard School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138 (United States)


    Monolithic integration of correlated oxide and nitride semiconductors may open up new opportunities in solid-state electronics and opto-electronics that combine desirable functional properties of both classes of materials. Here, we report on epitaxial growth and phase transition-related electrical properties of vanadium dioxide (VO{sub 2}) thin films on GaN epitaxial layers on c-sapphire. The epitaxial relation is determined to be (010){sub vo{sub 2}} parallel (0001){sub GaN} parallel (0001){sub A1{sub 2O{sub 3}}} and [100]{sub vo{sub 2}} parallel [1210]{sub GaN} parallel [0110]{sub A1{sub 2O{sub 3}}} from x-ray diffraction. VO{sub 2} heteroepitaxial growth and lattice mismatch are analyzed by comparing the GaN basal plane (0001) with the almost close packed corrugated oxygen plane in vanadium dioxide and an experimental stereographic projection describing the orientation relationship is established. X-ray photoelectron spectroscopy suggests a slightly oxygen rich composition at the surface, while Raman scattering measurements suggests that the quality of GaN layer is not significantly degraded by the high-temperature deposition of VO{sub 2}. Electrical characterization of VO{sub 2} films on GaN indicates that the resistance changes by about four orders of magnitude upon heating, similar to epitaxial VO{sub 2} films grown directly on c-sapphire. It is shown that the metal-insulator transition could also be voltage-triggered at room temperature and the transition threshold voltage scaling variation with temperature is analyzed in the framework of a current-driven Joule heating model. The ability to synthesize high quality correlated oxide films on GaN with sharp phase transition could enable new directions in semiconductor-photonic integrated devices.

  14. Internally shunted Josephson junctions with barriers tuned near the metal-insulator transition for RSFQ logic applications

    Energy Technology Data Exchange (ETDEWEB)

    Yu Lei [Department of Electrical Engineering, Arizona State University, Tempe, AZ 85287-6006 (United States); Gandikota, Raghuram [Chemical and Materials Engineering, Arizona State University, Tempe, AZ 85287-6006 (United States); Singh, Rakesh K [Chemical and Materials Engineering, Arizona State University, Tempe, AZ 85287-6006 (United States); Gu Lin [Center for Solid State Science, Arizona State University, Tempe, AZ 85287 (United States); Smith, David J [Center for Solid State Science, Arizona State University, Tempe, AZ 85287 (United States); Meng Xiaofan [Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, CA 94720 (United States); Zeng Xianghui [Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, CA 94720 (United States); Duzer, Theodore van [Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, CA 94720 (United States); Rowell, John M [Chemical and Materials Engineering, Arizona State University, Tempe, AZ 85287-6006 (United States); Newman, N [Department of Electrical Engineering, Arizona State University, Tempe, AZ 85287-6006 (United States)


    The fabrication of self-shunted SNS (superconductor/normal conductor/superconductor) Josephson junctions for rapid single flux quantum (RSFQ) logic could potentially facilitate increased circuit density, as well as reduced parasitic capacitance and inductance over the currently used externally shunted SIS (superconductor/insulator/superconductor) trilayer junction process. We report the deposition, fabrication, and device characterization of Josephson junctions prepared with Nb{sub 1-y}Ti{sub y}N electrodes and Ta{sub x}N barriers tuned near the metal-insulator transition, deposited on practical large-area oxide-buffered silicon wafers. When scaled to practical device dimensions, this type of junction is found to have an I{sub c}R{sub n} product of over 0.5 mV and a critical current (I{sub c}) and normal resistance (R{sub n}) of magnitudes suitable for single flux quantum digital circuits. A longer than expected normal-metal coherence length ({xi}{sub n}) of 5.8 nm is inferred from the thickness dependence of J{sub c} at 4.2 K for junctions fabricated using a barrier resistivity of 13 m{omega} cm. Although not well understood and not quantitatively predicted by conventional theories, this results in a sufficiently high I{sub c} and I{sub c}R{sub n} to make the junctions suitable for practical applications. Similar observations of unexpectedly large Josephson coupling currents in SNS junctions have been documented in other systems, particularly in cases when the barrier is near the M-I transition, and have become known as the giant proximity effect. The temperature dependence of {xi}{sub n}, I{sub c}R{sub n}, and J{sub c} are also reported. For this technology to be used in practical applications, significant improvements in our fabrication process are needed as we observe large variations in I{sub c} and R{sub n} values across a 100 mm wafer, presumably as a result of variations in the Ta:N stoichiometry and the resulting changes in the Ta{sub x}N barrier

  15. Metal-insulator transition in vanadium dioxide and titanium oxide using the three-dimensional periodic shell model and DV-X (United States)

    Nakatsugawa, Hiroshi

    The purpose of this study is to calculate electronic structures of the metallic and insulating phases of vanadium dioxide and titanium sesquioxide by using a combination of the three-dimensional periodic shell model and the discrete-variational (DV)-X alpha cluster method. When temperature decreases, vanadium dioxide undergoes a crystallographic phase transition and a metal-insulator (MI) transition at 340K. Unlike the clear cut MI transition in vanadium dioxide, titanium sesquioxide exhibits a broad crossover between a metallic and an insulating state around 450K, which is also an MI transition. Since the DV-X alpha cluster method can calculate the energies of electron states, the combination of the periodic shell model and the cluster method must contain the possibility to clarify the origin of the MI transition in vanadium dioxide and titanium sesquioxide from the energetic point of view. Therefore, the calculation using this combination is of great significance in order to understand the very important phenomena of vanadium dioxide and titanium sesquioxide, particularly the MI transition. Besides the effects of intersite repulsive nearest neighbor electron-electron (d-d) Coulombic interaction and the spin-spin interaction by means of a generalized Hubbard Hamiltonian, the Hamiltonian in the insulating phase includes Anderson's attractive potential due to the electron-phonon interaction which stabilize the three-dimensional periodic distribution of cation pairs. The shell model estimates the electron-phonon coupling constants and provides direct theoretical evidence that the three- dimensional periodic distribution of cation pairs are stabilized in the insulating phase. In addition, the DV-X alpha cluster method calculates the electron energy in clusters, the values for the intersite repulsive nearest- neighbor d-d interaction, and the spin- spin interaction. In vanadium dioxide, the electron-phonon interaction effect and the correlation effect for 3d electrons

  16. Materials Characterization and Microelectronic Implementation of Metal-insulator Transition Materials and Phase Change Materials (United States)


    the case with Ti2O3 (shown in Figure 23). Although it is diamagnetic (repelled by magnetic fields), some interesting magnetic properties are...which is uncommon but forms the basis for important perovskite ternary structures, (b) rutile (body-centered tetragonal) which is common in dioxides...Transition MM Metamaterial MO Molecular Orbital MRAM Magnetic Random Access Memory MTFET Mott Transition Field-effect Transistor NA Numerical

  17. Orbital electronic occupation effect on metal-insulator transition in Ti x V1-x O2 (United States)

    Huang, Kang; Meng, Yifan; Xu, XiaoFeng; Chen, Pingping; Lu, Aijiang; Li, Hui; Wu, Binhe; Wang, Chunrui; Chen, Xiaoshuang


    A series of Ti x V1-x O2 (0%  ⩽  x  ⩽  4.48%) thin films on c-plane sapphire substrates have been fabricated by co-sputtering oxidation solutions, and the metal-insulator transition temperature (T MIT) of Ti x V1-x O2 films rises monotonically at the rate of 1.64 K/at.% Ti. The x-ray diffraction measurement results show that, after Ti4+ ion doping, the rutile structure expands along the c r axis while shrinking along the a r and b r axis simultaneously. It makes the V-O bond length shorter, which is believed to upshift the π * orbitals. The rising of π * orbitals in Ti-doped VO2 has been illustrated by ultraviolet-infrared spectroscopy and first-principles calculation. With the Ti4+ ion doping concentration increasing, the energy levels of π * orbitals are elevated and the electronic occupation of π * orbitals decreases, which weakens the shielding for the strong electron-electron correlations in the d|| orbital and result in the T MIT rising. The research reveals that the T MIT of VO2 can be effected by the electronic occupancy of π * orbitals in a rutile state, which is helpful for developing VO2-based thermal devices.

  18. Metal-insulator-semiconductor photodetectors. (United States)

    Lin, Chu-Hsuan; Liu, Chee Wee


    The major radiation of the sun can be roughly divided into three regions: ultraviolet, visible, and infrared light. Detection in these three regions is important to human beings. The metal-insulator-semiconductor photodetector, with a simpler process than the pn-junction photodetector and a lower dark current than the MSM photodetector, has been developed for light detection in these three regions. Ideal UV photodetectors with high UV-to-visible rejection ratio could be demonstrated with III-V metal-insulator-semiconductor UV photodetectors. The visible-light detection and near-infrared optical communications have been implemented with Si and Ge metal-insulator-semiconductor photodetectors. For mid- and long-wavelength infrared detection, metal-insulator-semiconductor SiGe/Si quantum dot infrared photodetectors have been developed, and the detection spectrum covers atmospheric transmission windows.

  19. Metal-Insulator-Semiconductor Photodetectors

    Directory of Open Access Journals (Sweden)

    Chu-Hsuan Lin


    Full Text Available The major radiation of the Sun can be roughly divided into three regions: ultraviolet, visible, and infrared light. Detection in these three regions is important to human beings. The metal-insulator-semiconductor photodetector, with a simpler process than the pn-junction photodetector and a lower dark current than the MSM photodetector, has been developed for light detection in these three regions. Ideal UV photodetectors with high UV-to-visible rejection ratio could be demonstrated with III-V metal-insulator-semiconductor UV photodetectors. The visible-light detection and near-infrared optical communications have been implemented with Si and Ge metal-insulator-semiconductor photodetectors. For mid- and long-wavelength infrared detection, metal-insulator-semiconductor SiGe/Si quantum dot infrared photodetectors have been developed, and the detection spectrum covers atmospheric transmission windows.

  20. Observation of a Pseudogap in the Vicinity of the Metal-Insulator Transition in the Perovskite-type Vanadium Oxides Nd1-xSrxVO3 (United States)

    Yamamoto, Shintaro; Ootsuki, Daiki; Shimonaka, Daiya; Shibata, Daisuke; Kodera, Kenjiro; Okawa, Mario; Saitoh, Tomohiko; Horio, Masafumi; Fujimori, Atsushi; Kumigashira, Hiroshi; Ono, Kanta; Ikenaga, Eiji; Miyasaka, Shigeki; Tajima, Setsuko; Yoshida, Teppei


    We have performed a photoemission study of the Mott-Hubbard system Nd1-xSrxVO3 (x = 0.20 and 0.30) to investigate the electronic structure in the vicinity of the metal-insulator transition. By using bulk sensitive hard X-ray photoemission spectroscopy, we have observed a large coherent spectral weight near the Fermi level compared to those observed with surface-sensitive low photons. In particular, a pseudogap with an energy of ˜0.2 eV has been observed near the Fermi level, which is consistent with a prediction with a dynamical cluster approximation calculation. In order to understand the characteristic features in the Mott-Hubbard-type metal-insulator transition, particularly the pseudogap opening at x = 0.2 and 0.3, a phenomenological model of the self-energy has been proposed.

  1. A Review on Disorder-Driven Metal-Insulator Transition in Crystalline Vacancy-Rich GeSbTe Phase-Change Materials. (United States)

    Wang, Jiang-Jing; Xu, Ya-Zhi; Mazzarello, Riccardo; Wuttig, Matthias; Zhang, Wei


    Metal-insulator transition (MIT) is one of the most essential topics in condensed matter physics and materials science. The accompanied drastic change in electrical resistance can be exploited in electronic devices, such as data storage and memory technology. It is generally accepted that the underlying mechanism of most MITs is an interplay of electron correlation effects (Mott type) and disorder effects (Anderson type), and to disentangle the two effects is difficult. Recent progress on the crystalline Ge₁Sb₂Te₄ (GST) compound provides compelling evidence for a disorder-driven MIT. In this work, we discuss the presence of strong disorder in GST, and elucidate its effects on electron localization and transport properties. We also show how the degree of disorder in GST can be reduced via thermal annealing, triggering a disorder-driven metal-insulator transition. The resistance switching by disorder tuning in crystalline GST may enable novel multilevel data storage devices.

  2. Isotope effect on metal-insulator transition of (EDO-TTF) 2XF 6 (X = P, As) with multi-instability of metallic state (United States)

    Nakano, Yoshiaki; Balodis, Karlis; Yamochi, Hideki; Saito, Gunzi; Uruichi, Mikio; Yakushi, Kyuya


    The partially deuterated 4,5-ethylenedioxy-tetrathiafulvalene- d2 (EDO-TTF- d2) was synthesized from the undeuterated EDO-TTF- d0. The single crystals of (EDO-TTF- d2) 2XF 6 (X = P, As) were prepared by the conventional electrocrystallization technique. The deuterium contents of EDO-TTF- d2 itself and the radical cation salts were 99% D by mass spectral analysis. The magnetic susceptibility measurement revealed that (EDO-TTF- d2) 2XF 6 undergoes a metal-insulator transition at 2-3 K higher temperature than the undeuterated salts. In infrared and Raman spectra, significant isotope shifts were observed not only on C-H vibrational modes but also on TTF-skeletal modes. The assignment of experimental bands was performed on the basis of normal-mode analysis at B3LYP/6-31G(d,p) level of theory.

  3. Conductance fluctuations and distribution at metal-insulator transition induced by electric field in disordered chain

    International Nuclear Information System (INIS)

    Senouci, Khaled


    A simple Kronig-Penney model for 1D mesoscopic systems with δ peak potentials is used to study numerically the influence of a constant electric field on the conductance fluctuations and distribution at the transition. We found that the conductance probability distribution has a system-size independent form with large fluctuations in good agreement with the previous works in 2D and 3D systems. (author)

  4. 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.

  5. Synchronization of pairwise-coupled, identical, relaxation oscillators based on metal-insulator phase transition devices: A model study (United States)

    Parihar, Abhinav; Shukla, Nikhil; Datta, Suman; Raychowdhury, Arijit


    Computing with networks of synchronous oscillators has attracted wide-spread attention as novel materials and device topologies have enabled realization of compact, scalable and low-power coupled oscillatory systems. Of particular interest are compact and low-power relaxation oscillators that have been recently demonstrated using MIT (metal-insulator-transition) devices using properties of correlated oxides. Further the computational capability of pairwise coupled relaxation oscillators has also been shown to outperform traditional Boolean digital logic circuits. This paper presents an analysis of the dynamics and synchronization of a system of two such identical coupled relaxation oscillators implemented with MIT devices. We focus on two implementations of the oscillator: (a) a D-D configuration where complementary MIT devices (D) are connected in series to provide oscillations and (b) a D-R configuration where it is composed of a resistor (R) in series with a voltage-triggered state changing MIT device (D). The MIT device acts like a hysteresis resistor with different resistances in the two different states. The synchronization dynamics of such a system has been analyzed with purely charge based coupling using a resistive (RC) and a capacitive (CC) element in parallel. It is shown that in a D-D configuration symmetric, identical and capacitively coupled relaxation oscillator system synchronizes to an anti-phase locking state, whereas when coupled resistively the system locks in phase. Further, we demonstrate that for certain range of values of RC and CC, a bistable system is possible which can have potential applications in associative computing. In D-R configuration, we demonstrate the existence of rich dynamics including non-monotonic flows and complex phase relationship governed by the ratios of the coupling impedance. Finally, the developed theoretical formulations have been shown to explain experimentally measured waveforms of such pairwise coupled

  6. La interstitial defect-induced insulator-metal transition in the oxide heterostructures LaAl O3 /SrTi O3 (United States)

    Zhou, Jun; Yang, Ming; Feng, Yuan Ping; Rusydi, Andrivo


    Perovskite oxide interfaces have attracted tremendous research interest for their fundamental physics and promising all-oxide electronic applications. Here, based on first-principles calculations, we propose a surface La interstitial promoted interface insulator-metal transition in LaAl O3 /SrTi O3 (110). Compared with surface oxygen vacancies, which play a determining role on the insulator-metal transition of LaAl O3 /SrTi O3 (001) interfaces, we find that surface La interstitials can be more experimentally realistic and accessible for manipulation and more stable in an ambient atmospheric environment. Interestingly, these surface La interstitials also induce significant spin-splitting states with a Ti dy z/dx z character at a conducting LaAl O3 /SrTi O3 (110) interface. On the other hand, for insulating LaAl O3 /SrTi O3 (110) (properties of LaAl O3 /SrTi O3 (110) for different possibilities in electronic and magnetic applications.

  7. Temperature-dependent photoemission and x-ray absorption studies of the metal-insulator transition in Bi1-xLaxNiO3 (United States)

    Wadati, Hiroki; Tanaka, Kiyohisa; Fujimori, Atsushi; Mizokawa, Takashi; Kumigashira, Hiroshi; Oshima, Masaharu; Ishiwata, Shintaro; Azuma, Masaki; Takano, Mikio


    Perovskite-type BiNiO3 is an insulating antiferromagnet in which a charge disproportionation occurs at the Bi site. La substitution for Bi suppresses the charge disproportionation and makes the system metallic, and for 0.05≤x≤0.1 a broad metal-insulator transition (MIT) occurs as a function of temperature. We have measured the temperature dependence of the photoemission and x-ray absorption (XAS) spectra of Bi1-xLaxNiO3 to investigate how the electronic structure changes across the MIT. From the Ni2p XAS spectra of x=0.05 , we found almost no change in the valence of Ni across the MIT. In the valence-band photoemission spectra, the Fermi cutoff disappeared for x=0.05 at a low temperature, whereas for x=0.1 and 0.2, it remained at all temperatures but the intensity at the Fermi level decreased gradually with decreasing temperature. Our experimental results suggest that the MIT is caused by the localization of holes in the O2p band and that the “insulating” phase below the MIT is indeed a mixture of insulating and metallic regions.

  8. Reflectance study on the metal-insulator transition driven by crystallinity change in poly(3,4-ethylenedioxy thiophene)/poly(styrenesulfonate) films

    International Nuclear Information System (INIS)

    Cho, Shinuk; Park, Sungheum; Lee, Kwanghee


    We report optical reflectance, R(ω), studies on free-standing films of poly(3,4-ethylene dioxy thiophene)/poly(style ne sulfonate) (PEDOT-PSS) measured over a range from 0.02 - 5.0 eV. When the PEDOT-PSS films were prepared at an elevated temperature of 60 .deg. C, the films exhibit an increased dc-conductivity (σ dc ∼ 104 S/cm) and an optical conductivity, σ(ω), in the intraband transitions below 1.0 eV as compared with the films prepared at room temperature (σ dc ∼ 47 S/cm). Detailed analysis of σ(ω) in terms of the 'localization-modified Drude (LMD) model' demonstrated that the heat-treated PEDOT-PSS was a disordered metal near the metal-insulator transition (MIT) while the as-grown films could be better described as a Fermi glass on the insulating side of MIT. The heat-annealing process increased the degree of crystallinity of the films, thereby inducing a MIT near the critical limit.

  9. The one-particle scenario for the metal-insulator transition in two-dimensional systems at T = 0

    CERN Document Server

    Tarasov, Y V


    The conductance of bounded disordered electron systems is calculated by reducing the original dynamic problem of arbitrary dimensionality to a set of strictly one-dimensional problems for one-particle mode propagators. The metallic ground state of a two-dimensional conductor, which is considered as a limiting case of three-dimensional quantum waveguide, is shown to result from its multi-modeness. As the waveguide thickness is reduced, e.g., by applying a 'pressing' potential, the electron system undergoes a set of continuous phase transitions related to discrete variations of the number of extended modes. The closing of the last current carrying mode is regarded as a phase transition of the electron system from metallic to dielectric state. The obtained results agree qualitatively with the observed 'anomalies' of resistivity of different two-dimensional electron and hole systems.

  10. Thickness-dependent evolution of structure, electronic structure, and metal-insulator transition in ultrathin V2O3(0001) films on Ag(001) (United States)

    Kundu, Asish K.; Menon, Krishnakumar S. R.


    Epitaxial hexagonal V2O3(0001) films were grown on cubic Ag(001) substrate for coverages ranging from 1-20 monolayers equivalent (MLE) and have studied their structure, electronic structure and the metal-insulator transition (MIT) using Low Energy Electron Diffraction (LEED), X-ray Photoelectron Spectroscopy (XPS) and Angle-Resolved Photoemission Spectroscopy (ARPES) techniques. Detailed LEED and XPS study reveal that, for the lower film coverages (∼1 MLE), a complex (coexisting phase of) vanadium oxide is formed while from 3 MLE coverage onwards, three-dimensional crystallites of V2O3 grows epitaxially. Our LEED results also show that the hexagonal surface of V2O3(0001) is stabilizing on top of square symmetry substrate by the formation of twin-domain structure, where each domain is rotated by 90o. Our photoemission results show that the surface of V2O3 is more insulating than its bulk, similar to the case of many strongly correlated oxide surfaces which is discussed based on the valence band electronic structure with varying probing depth. Evolution of the surface electronic structure was also studied as a function of the film thickness. Further, the effect of lattice strain, film thickness and the domain formation on the metal-insulator transition (MIT) are discussed. The change in the orbital occupancy of (a1 g, egπ) and (egπ, egπ) orbitals of V 3 d, a vanishing of quasiparticle (QP) peak and opening an energy gap at the Fermi level is observed below a critical temperature as a consequence of the MIT.

  11. Valence changes associated with the metal-insulator transition in Bi1-xLaxNiO3 (United States)

    Wadati, H.; Takizawa, M.; Tran, T. T.; Tanaka, K.; Mizokawa, T.; Fujimori, A.; Chikamatsu, A.; Kumigashira, H.; Oshima, M.; Ishiwata, S.; Azuma, M.; Takano, M.


    Perovskite-type BiNiO3 is an insulating antiferromagnet in which a charge disproportionation occurs at the Bi site. La substitution for Bi suppresses the charge disproportionation and makes the system metallic. We have measured the photoemission and x-ray-absorption (XAS) spectra of Bi1-xLaxNiO3 to investigate how the electronic structure changes with La doping. From Ni 2p XAS, we observed an increase of the valence of Ni from 2+ toward 3+ . Combined with the core-level photoemission study, it was found that the average valence of Bi remains ˜4+ and that the Ni valence behaves as ˜(2+x)+ , that is, La substitution results in a hole doping at the Ni sites. In the valence-band photoemission spectra, we observed a Fermi cutoff for x>0 , consistent with the metallic behavior of the La-doped compounds. The Ni 2p XAS, Ni 2p core-level photoemission, and valence-band photoemission spectra were analyzed by configuration-interaction cluster-model calculation, and the spectral line shapes were found to be consistent with the gradual Ni2+→Ni3+ valence change.

  12. Hartree-Fock study of the Anderson metal-insulator transition in the presence of Coulomb interaction: Two types of mobility edges and their multifractal scaling exponents (United States)

    Lee, Hyun-Jung; Kim, Ki-Seok


    We investigate the role of Coulomb interaction in the multifractality of Anderson metal-insulator transition, where the Coulomb interaction is treated within the Hartree-Fock approximation, but disorder effects are taken into account exactly. An innovative technical aspect in our simulation is to utilize the Ewald-sum technique, which allows us to introduce the long-range nature of the Coulomb interaction into Hartree-Fock self-consistent equations of order parameters more accurately. This numerical simulation reproduces the Altshuler-Aronov correction in a metallic state and the Efros-Shklovskii pseudogap in an insulating phase, where the density of states ρ (ω ) is evaluated in three dimensions. Approaching the quantum critical point of a metal-insulator transition from either the metallic or insulting phase, we find that the density of states is given by ρ (ω ) ˜|ω| 1 /2 , which determines one critical exponent of the McMillan-Shklovskii scaling theory. Our main result is to evaluate the eigenfunction multifractal scaling exponent αq, given by the Legendre transformation of the fractal dimension τq, which characterizes the scaling behavior of the inverse participation ratio with respect to the system size L . Our multifractal analysis leads us to identify two kinds of mobility edges, one of which occurs near the Fermi energy and the other of which appears at a high energy, where the density of states at the Fermi energy shows the Coulomb-gap feature. We observe that the multifractal exponent at the high-energy mobility edge remains to be almost identical to that of the Anderson localization transition in the absence of Coulomb interactions. On the other hand, we find that the multifractal exponent near the Fermi energy is more enhanced than that at the high-energy mobility edge, suspected to result from interaction effects. However, both the multifractal exponents do not change even if the strength of the Coulomb interaction varies. We also show that the

  13. UV light induced insulator-metal transition in ultra-thin ZnO/TiOx stacked layer grown by atomic layer deposition (United States)

    Saha, D.; Misra, P.; Joshi, M. P.; Kukreja, L. M.


    In the present study, atomic layer deposition has been used to grow a series of Ti incorporated ZnO thin films by vertically stacking different numbers (n = 1-7) of ZnO/TiOx layers on (0001) sapphire substrates. The effects of defect states mediated chemisorption of O2 and/OH groups on the electrical properties of these films have been investigated by illuminating the samples under UV light inside a high vacuum optical cryostat. The ultra-thin film having one stacked layer (n = 1) did not show any change in its electrical resistance upon UV light exposure. On the contrary, marginal drop in the electrical resistivity was measured for the samples with n ≥ 3. Most surprisingly, the sample with n = 2 (thickness ˜ 12 nm) showed an insulator to metal transition upon UV light exposure. The temperature dependent electrical resistivity measurement on the as grown film (n = 2) showed insulating behaviour, i.e., diverging resistivity on extrapolation to T→ 0 K. However, upon UV light exposure, it transformed to a metallic state, i.e., finite resistivity at T → 0 K. Such an insulator-metal transition plausibly arises due to the de-trapping of conduction electrons from the surface defect sites which resulted in an upward shift of the Fermi level above the mobility edge. The low-temperature electron transport properties on the insulating film (n = 2) were investigated by a combined study of zero field electrical resistivity ρ(T) and magnetoresistance (MR) measurements. The observed negative MR was found to be in good agreement with the magnetic field induced suppression of quantum interference between forward-going paths of tunnelling electrons. Both ρ(T) and MR measurements provided strong evidence for the Efros-Shklovskii type variable range hopping conduction in the low-temperature (≤40 K) regime. Such studies on electron transport in ultra-thin n-type doped ZnO films are crucial to achieve optimum functionality with long term reliability of ZnO based transparent

  14. Disorder-driven metal-insulator-transition assisted by interband Coulomb repulsion in a surface transfer doped electron system (United States)

    Francisco Sánchez-Royo, Juan


    The two-dimensional conducting properties of the Si(111) \\sqrt {3} \\times \\sqrt {3} surface doped by the charge surface transfer mechanism have been calculated in the frame of a semiclassical Drude-Boltzmann model considering donor scattering mechanisms. To perform these calculations, the required values of the carrier effective mass were extracted from reported angle-resolved photoemission results. The calculated doping dependence of the surface conductance reproduces experimental results reported and reveals an intricate metallization process driven by disorder and assisted by interband interactions. The system should behave as an insulator even at relatively low doping due to disorder. However, when doping increases, the system achieves to attenuate the inherent localization effects introduced by disorder and to conduct by percolation. The mechanism found by the system to conduct appears to be connected with the increasing of the carrier effective mass observed with doping, which seems to be caused by interband interactions involving the conducting band and deeper ones. This mass enhancement reduces the donor Bohr radius and, consequently, promotes the screening ability of the donor potential by the electron gas.

  15. Unusual terahertz spectral weight and conductivity dynamics of the insulator-metal transition in Pr0.5Nd0.5NiO3 thin films (United States)

    Santhosh Kumar, K.; Das, Sarmistha; Eswara Phanindra, V.; Rana, D. S.


    The metal-insulator transition (MIT) in correlated systems is a central phenomenon that possesses potential for several emerging technologies. We investigate the kinetics of such MIT in perovskite nickelates by studying the terahertz (THz) low-energy charge dynamics in orthorhombic and tetragonal symmetries of Pr0.5Nd0.5NiO3 thin films. The THz conductivity of the orthorhombic thin film is dominated by Drude behavior in the entire temperature range, albeit a dominant anomaly at and around the MIT region. The tetragonal thin film exhibits different overall THz conductivity dynamics though, i.e. of a Drude–Smith (DS) type in the entire temperature range, the DS coefficient signifying dominant backscattering peaks in the MIT region. While the overall THz dynamics profile is different for the two films, a unique yet similar sensitivity of the I–M transition regions of both films to THz frequencies underlines the fundamental origin of the bi-critical phase around MIT of the nickelates. The peculiar behavior around the I–M transition, as evaluated in the framework of a percolative path approximation based Dyre expression, emphasizes the importance of critical metallic volume fraction (f c) for the percolation conduction, as an f c of ~0.645 obtained for the present case, along with evidence for the absence of super-heating.

  16. A Brillouin scattering study of La0.77Ca0.23MnO3 across the metal-insulator transition

    International Nuclear Information System (INIS)

    Seikh, Md Motin; Narayana, Chandrabhas; Sudheendra, L; Sood, A K; Rao, C N R


    Temperature-dependent Brillouin scattering studies have been carried out on La 0.77 Ca 0.23 MnO 3 across the paramagnetic insulator-ferromagnetic metal (I-M) transition (T C ∼ 230 K). The spectra show modes corresponding to a surface Rayleigh wave (SRW) and a high velocity pseudo-surface wave (HVPSAW) along with bulk acoustic waves (B1 and B2). The Brillouin shifts associated with the SRW and HVPSAW increase, whereas the B1 and B2 frequencies decrease, below T C . The temperature dependence of the SRW and HVPSAW modes is related to the increase in the elastic constant C 11 across the I-M transition. The decrease in frequency across the I-M transition of the bulk modes is understood to be due to enhanced self-energy corrections as a result of increased magnon-phonon interaction across the I-M transition. Correspondingly, these modes show a large increase in the full width at half maximum (FWHM) as the temperature decreases. We also observe a central peak whose width is maximum at T C

  17. Addendum to "Switching effect and the metal-insulator transition in electric field" by A.L. Pergament et al. [J. Phys. Chem. Solids 71 (2010) 874 (United States)

    Pergament, A. L.; Velichko, A. A.; Stefanovich, G. B.


    In the paper mentioned above we reported on the switching mechanism in vanadium dioxide which was shown to be based on the electronically-induced Mott insulator-to-metal transition occurring in conditions of the non-equilibrium carrier density excess in the applied electric field, and the proposed model involved the dependence of the carrier density n on electric field (the Poole-Frenkel effect), as well as the dependence of the critical electric field on n. The data on the n(T) dependence were obtained on the assumption of a temperature-independent carrier mobility μ, and the problem of n reduction at lower temperatures was not fully understood. In this Letter we revisit this problem in the light of some recent data on the μ(T) dependence for VO2. It is shown that the adjusted values of n, taking into account this μ(T), correspond to the Mott critical density within an order of magnitude.

  18. Density of states and spatially inhomogeneous conductance near the metal-insulator transition in Pr{sub 0.68}Pb{sub 0.32}MnO{sub 3} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Wirth, S; Roessler, Sahana; Ernst, S; Steglich, F [Max Planck Institute for Chemical Physics of Solids, Noethnitzer Strasse 40, 01187 Dresden (Germany); Padmanabhan, B; Bhat, H L; Elizabeth, Suja [Department of Physics, Indian Institute of Science, Bangalore 560012 (India)


    Single crystals of Pr{sub 0.68}Pb{sub 0.32}MnO{sub 3} have been investigated by scanning tunneling microscopy over a broad temperature range. In this material, a distinct separation of the ferromagnetic and the metal-insulator transition temperature, T{sub C}{approx}210 K and T{sub MI}{approx}255 K, respectively, was observed. Spectroscopic tunneling studies revealed that even on a local scale the system switches from predominantly metallic to insulating within a narrow temperature range around T{sub MI}. Inhomogeneities of the zero-bias conductance with small patches of metallic clusters on a length scale of 2-3 nm, however, were only observed within the temperature range T{sub C}metallic state, but homogeneous ferromagnetic and insulating states.

  19. Enhanced Metal-Insulator Transition Performance in Scalable Vanadium Dioxide Thin Films Prepared Using a Moisture-Assisted Chemical Solution Approach. (United States)

    Liang, Weizheng; Gao, Min; Lu, Chang; Zhang, Zhi; Chan, Cheuk Ho; Zhuge, Lanjian; Dai, Jiyan; Yang, Hao; Chen, Chonglin; Park, Bae Ho; Jia, Quanxi; Lin, Yuan


    Vanadium dioxide (VO 2 ) is a strong-correlated metal-oxide with a sharp metal-insulator transition (MIT) for a range of applications. However, synthesizing epitaxial VO 2 films with desired properties has been a challenge because of the difficulty in controlling the oxygen stoichiometry of VO x , where x can be in the range of 1 < x < 2.5 and V has multiple valence states. Herein, a unique moisture-assisted chemical solution approach has been developed to successfully manipulate the oxygen stoichiometry, to significantly broaden the growth window, and to significantly enhance the MIT performance of VO 2 films. The obvious broadening of the growth window of stoichiometric VO 2 thin films, from 4 to 36 °C, is ascribed to a self-adjusted process for oxygen partial pressure at different temperatures by introducing moisture. A resistance change as large as 4 orders of magnitude has been achieved in VO 2 thin films with a sharp transition width of less than 1 °C. The much enhanced MIT properties can be attributed to the higher and more uniform oxygen stoichiometry. This technique is not only scientifically interesting but also technologically important for fabricating wafer-scaled VO 2 films with uniform properties for practical device applications.

  20. Near-Field Nanoscopy of Metal-Insulator Phase Transitions Towards Synthesis of Novel Correlated Transition Metal Oxides and Their Interaction with Plasmon Resonances (United States)


    infrared antennas, Physical Chem Chem Physics (08 2013) Yohannes Abate, Sampath Gamage, Li Zhen, Stephen B. Cronin, Han Wang, Viktoriia Babicheva ...Nanowires, Journal of the American Chemical Society 135, 4850-4855 (2013). 8. Y. Abate, L. Zhen, S. B. Cronin, H. Wang, V. Babicheva , M. H. Javani, M. I...V. Babicheva , M. H. Javani, and M. I. Stockman, Nanoscopy Reveals Metallic Black Phosphorus, arXiv:1506.05431, 1-9 (2015). 27. J. Kim, S. S. Baik

  1. Quantum phase transitions of a disordered antiferromagnetic topological insulator (United States)

    Baireuther, P.; Edge, J. M.; Fulga, I. C.; Beenakker, C. W. J.; Tworzydło, J.


    We study the effect of electrostatic disorder on the conductivity of a three-dimensional antiferromagnetic insulator (a stack of quantum anomalous Hall layers with staggered magnetization). The phase diagram contains regions where the increase of disorder first causes the appearance of surface conduction (via a topological phase transition), followed by the appearance of bulk conduction (via a metal-insulator transition). The conducting surface states are stabilized by an effective time-reversal symmetry that is broken locally by the disorder but restored on long length scales. A simple self-consistent Born approximation reliably locates the boundaries of this so-called "statistical" topological phase.

  2. Local structural aspects of the metal-insulator transition in CuIr2S4 from total scattering x-ray study (United States)

    Bozin, E.; Masadeh, A. S.; Kim, H. J.; Juhas, P.; Billinge, S. J. L.; Mitchell, J. F.


    A thiospinel CuIr2S4 exhibits a metal-insulator (MI) transition at T=230 K, with simultaneous spin-dimerization and charge-ordering [1]. The transition can also be driven by extended exposure to the x-rays at low T [2, 3]. Total x-ray scattering study of CuIr2S4 was carried out using 100 KeV synchrotron beam and rapid acquisition pair distribution function (RAPDF) approach. The RAPDF results indicate consistency of the local and average structure at high T. At 100 K long x-ray exposure melts the long-range order (LRO) of the dimerization pattern, without affecting the local structure, in agreement with diffuse scattering result [3]. The dependence of the LRO related superlattice peak intensity on the exposure time reveals that the melting occurs within approximately 15 seconds of exposure under experimental conditions used. At 100 K the LRO is recovered without temperature increase quickly after the cessation of the beamtime exposure. Results on Cr doped samples will be addressed as well. [1] P.G. Radaelli et al., Nature 416, 155 (2002). [2] V. Kiryukhin et al., Phys. Rev. Lett. 97, 225503 (2006). [3] H. Ishibashi et al., Phys. Rev. B 66, 144424 (2002). This work is supported by the NSF under grant DMR-0304391. ANL is supported under DOE contract No. DE-AC02-06CH11357.

  3. Spectral weight suppression near a metal-insulator transition in a double-layer electron-doped iridate (United States)

    Affeldt, Gregory; Hogan, Tom; Smallwood, Christopher L.; Das, Tanmoy; Denlinger, Jonathan D.; Wilson, Stephen D.; Vishwanath, Ashvin; Lanzara, Alessandra


    The perovskite iridates Sr2IrO4 and Sr3Ir2O7 represent novel systems for exploring the electronic structure that is characteristic of Mott insulators upon carrier doping. Using angle-resolved photoemission spectroscopy (ARPES), we reveal a previously unobserved suppression of spectral weight near the Fermi level in the conduction band of very lightly electron-doped (Sr1-xLax) 3Ir2O7 followed by a loss of coherence at high temperature. The doping and temperature dependence of this suppression suggests a correspondence with the antiferromagnetic Mott state. These results connect (Sr1-xLax) 3Ir2O7 to other doped Mott insulators and add to the growing evidence of universal physics in these systems.

  4. Unexpected metal-insulator transition in thick Ca1-xSrxVO3 film on SrTiO3 (100) single crystal (United States)

    Takayanagi, Makoto; Tsuchiya, Takashi; Namiki, Wataru; Ueda, Shigenori; Minohara, Makoto; Horiba, Koji; Kumigashira, Hiroshi; Terabe, Kazuya; Higuchi, Tohru


    Epitaxial Ca1-xSrxVO3 (0 ≦ x ≦ 1) thin films were grown on (100)-oriented SrTiO3 substrates by using the pulsed laser deposition technique. In contrast to the previous report that metal-insulator transition (MIT) in Ca1-xSrxVO3 (CSVO) was achieved only for extremely thin films (several nm thick), MIT was observed at 39, 72, and 113 K for films with a thickness of 50 nm. The electronic structure was investigated by hard and soft X-ray photoemission spectroscopy (HX-PES and SX-PES). The difference between these PES results was significant due to the variation in an escape depth of photoelectrons of PES. While HX-PES showed that the V 2p3/2 spectra consisted of four peaks (V5+, V4+, V3+, and V2+/1+), SX-PES showed only three peaks (V5+, V4+, and V3+). This difference can be caused by a strain from the substrate, which leads to the chemical disorder (V5+, V4+, V3+, and V2+/1+). The thin film near the substrate is affected by the strain. The positive magnetoresistance is attributed to the effect of electron-electron interactions in the disorder system. Therefore, the emergence of MIT can be explained by the electron-electron interactions from the chemical disorder due to the strain.

  5. Ultrafast Dynamics of the VO2 Insulator-to-Metal Transition Observed by Nondegenerate Pump-Probe Spectroscopy

    Directory of Open Access Journals (Sweden)

    Haglund R. F.


    Full Text Available Non-degenerate pump (1.5 eV-probe (0.4 eV transmission spectroscopy on vanadium dioxide films grown on glass and three different sapphire substrates shows systematic variations with substrate that correlate with VO2 grain size and laser fluence. Temperature dependent measurements showed changes in the electronic response that is proportional to the metallic fraction.

  6. k-dependent spectrum and optical conductivity near metal-insulator transition in multi-orbital hubbard bands

    International Nuclear Information System (INIS)

    Miura, Oki; Fujiwara, Takeo


    We apply the dynamical mean field theory (DMFT) combined with the iterative perturbation theory (IPT) to the doubly degenerate e g and the triply degenerate f 2g bands on a simple cubic lattice and a body-centered cubic lattice and calculate the spectrum and optical conductivity in arbitrary electron occupation. The spectrum simultaneously shows the effects of multiplet structure together with the electron ionization and affinity levels of different electron occupations, coherent peaks at the Fermi energy in the metallic phase and an energy gap at an integer filling of electrons for sufficiently large Coulomb U. We also discuss the critical value of the Coulomb U for degenerate orbitals on a simple cubic lattice and a body-centered cubic lattice. (author)

  7. High pressure metallization of Mott Insulators: Magnetic, structural and electronic properties

    International Nuclear Information System (INIS)

    Pasternak, M.P.; Hearne, G.; Sterer, E.; Taylor, R.D.; Jeanloz, R.


    High pressure studies of the insulator-metal transition in the (TM)I 2 (TM = V, Fe, Co and Ni) compounds are described. Those divalent transition-metal iodides are structurally isomorphous and classified as Mott Insulators. Resistivity, X-ray diffraction and Moessbauer Spectroscopy were employed to investigate the electronic, structural, and magnetic properties as a function of pressure both on the highly correlated and on the metallic regimes

  8. Superconductivity and crystal structural origins of the metal-insulator transition in Ba6 -xSrxNb10O30 tetragonal tungsten bronzes (United States)

    Kolodiaznyi, Taras; Sakurai, Hiroya; Isobe, Masaaki; Matsushita, Yoshitaka; Forbes, Scott; Mozharivskyj, Yurij; Munsie, Timothy J. S.; Luke, Graeme M.; Gurak, Mary; Clarke, David R.


    Ba6 -xSrxNb10O30 solid solution with 0 ≤ x ≤6 forms the filled tetragonal tungsten bronze (TTB) structure. The Ba-end member crystallizes in the highest symmetry P 4 /m b m space group (a =b =12.5842 (18 )Å and c =3.9995 (8 )Å ) and so do all the compositions with 0 ≤ x ≤5 . The Sr-end member of the solid solution crystallizes in the tentatively assigned A m a m space group (a *=17.506 (4 )Å , b *=34.932 (7 )Å , and c *=7.7777 (2 )Å ). The latter space group is related to the parent P 4 /m b m TTB structure as a * ≈ √{2 }a ,b * ≈2 √{2 }a ,c *=2 c . Low-temperature specific heat measurements indicate that the Ba-rich compositions with x ≤2 are conventional BCS superconductors with TC ≤1.6 K and superconducting energy gaps of ≤0.38 meV. The values of the TC in the cation-filled Nb-based TTBs reported here are comparable with those of the unfilled KxWO3 and NaxWO3 TTBs having large alkali ion deficiency. As the unit cell volume decreases with increasing x , an unexpected metal-insulator transition (MIT) in Ba6 -xSrxNb10O30 occurs at x ≥3 . We discuss the possible origins of the MIT in terms of the carrier concentration, symmetry break, and Anderson localization.

  9. Femtosecond terahertz studies of many-body correlations. From ultrafast phonon-plasmon dynamics to an insulator-metal transition

    Energy Technology Data Exchange (ETDEWEB)

    Kuebler, C.


    Phase-matched optical rectification together with standard EOS methods gives direct access to the real-time evolution of the electric field of ultrashort THz pulses. This opens up a new field of experiments, in which the complex dielectric function or equivalently the frequency-dependent conductivity of solid state systems is monitored resonantly throughout the MIR and FIR with a femtosecond temporal resolution. Optical rectification of amplified laser pulses allows for the generation of electric fields of several 10 kV cm-1 up to 1 MV cm-1, depending on the laser pulse energy. Such highly energetic field transients may be employed to coherently drive low-energy transitions into the nonlinear regime. The problems which are inherent to standard EOS, i.e. a fixed detector response and a limited bandwidth, are absent in phase-matched EOS. If this novel detection technique is combined with phase-matched optical rectification, an extremely versatile multi-THz spectrometer is obtained. The accessible frequency range is extended toward the near infrared. In addition, both the emission spectrum and the detector response may be custom tailored to fit specific spectroscopic requirements. Proper choice of the phasematching geometry eliminates multiple time delayed reflections of the main THz pulse, resulting in an essentially unlimited frequency resolution. In the context of optical pump - multi-THz probe experiments the implementation of a photoelastic modulator results in significant improvement of the signal-to-noise ratio: Balancing of the differential detector is rendered less critical and the measurement time in a 2D time-resolved experiment is reduced by up to two orders of magnitude. Finally, the combination of phase-matched optical rectification and phasematched electro-optic sampling shows great scaling potential with respect to both achieving higher field energies and shorter wavelengths. (orig.)

  10. Femtosecond terahertz studies of many-body correlations. From ultrafast phonon-plasmon dynamics to an insulator-metal transition

    International Nuclear Information System (INIS)

    Kuebler, C.


    Phase-matched optical rectification together with standard EOS methods gives direct access to the real-time evolution of the electric field of ultrashort THz pulses. This opens up a new field of experiments, in which the complex dielectric function or equivalently the frequency-dependent conductivity of solid state systems is monitored resonantly throughout the MIR and FIR with a femtosecond temporal resolution. Optical rectification of amplified laser pulses allows for the generation of electric fields of several 10 kV cm-1 up to 1 MV cm-1, depending on the laser pulse energy. Such highly energetic field transients may be employed to coherently drive low-energy transitions into the nonlinear regime. The problems which are inherent to standard EOS, i.e. a fixed detector response and a limited bandwidth, are absent in phase-matched EOS. If this novel detection technique is combined with phase-matched optical rectification, an extremely versatile multi-THz spectrometer is obtained. The accessible frequency range is extended toward the near infrared. In addition, both the emission spectrum and the detector response may be custom tailored to fit specific spectroscopic requirements. Proper choice of the phasematching geometry eliminates multiple time delayed reflections of the main THz pulse, resulting in an essentially unlimited frequency resolution. In the context of optical pump - multi-THz probe experiments the implementation of a photoelastic modulator results in significant improvement of the signal-to-noise ratio: Balancing of the differential detector is rendered less critical and the measurement time in a 2D time-resolved experiment is reduced by up to two orders of magnitude. Finally, the combination of phase-matched optical rectification and phasematched electro-optic sampling shows great scaling potential with respect to both achieving higher field energies and shorter wavelengths. (orig.)

  11. 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.

  12. Metallic insulation transport and strainer clogging tests

    International Nuclear Information System (INIS)

    Hyvaerinen, J.; Hongisto, O.


    Experiments to probe the transport and clogging properties of metallic (metal reflective) insulation have been carried out in order to provide data for evaluation of their influence on the emergency core cooling and containment spray systems of the Finnish boiling water reactors in the event of a design basis accident. The specific metallic insulation tested was DARMET, provided by Darchem Engineering Ltd. The inner foils of Darmet are dimped. Available literature on the metallic insulation performance under design basis accident conditions has been reviewed. On the basis of the review a parametric approach has been chosen for the transport and clogging experiments. This approach involves testing a wide size range of various shapes of foil pieces. Five sets of experiments have been carried out. The first three sets investigate transport properties of the foil pieces, starting from sedimentation in stagnant waste pool and proceeding to transport in horizontal and vertically circulating flows. The clogging experiments have been addressed the differential pressures obtained due to accumulation of both pure and metallic and a mixture of metallic and fibrous (mineral wool) depris. (4 refs., 24 figs., 2 tabs.)

  13. Detailed Mapping of the Local Ir4+ Dimers through the Metal-Insulator Transitions of CuIr2S4 Thiospinel by X-Ray Atomic Pair Distribution Function Measurements (United States)

    Božin, E. S.; Masadeh, A. S.; Hor, Y. S.; Mitchell, J. F.; Billinge, S. J. L.


    The evolution of the short-range structural signature of the Ir4+ dimer state in CuIr2S4 thiospinel has been studied across the metal-insulator phase transitions as the metallic state is induced by temperature, Cr doping, and x-ray fluence. An atomic pair distribution function (PDF) approach reveals that there are no local dimers that survive into the metallic phase when this is invoked by temperature and doping. The PDF shows Ir4+ dimers when they exist, regardless of whether or not they are long-range ordered. At 100 K, exposure to a 98 keV x-ray beam melts the long-range dimer order within a few seconds, though the local dimers remain intact. This shows that the metallic state accessed on warming and doping is qualitatively different from the state obtained under x-ray irradiation.

  14. Detailed mapping of the local Ir{sup 4+} dimers through the metal-insulator transitions of CuIr{sub 2}S{sub 4} thiospinel by x-ray atomic pair distribution function measurements.

    Energy Technology Data Exchange (ETDEWEB)

    Bozin, E. S.; Masadeh, A. S.; Hor, Y. S.; Mitchell, J. F.; Billinge, S. J. L.; Materials Science Division; BNL; Michigan State Univ.; Univ. of Jordan; Columbia Univ.


    The evolution of the short-range structural signature of the Ir{sup 4+} dimer state in CuIr{sub 2}S{sub 4} thiospinel has been studied across the metal-insulator phase transitions as the metallic state is induced by temperature, Cr doping, and x-ray fluence. An atomic pair distribution function (PDF) approach reveals that there are no local dimers that survive into the metallic phase when this is invoked by temperature and doping. The PDF shows Ir{sup 4+} dimers when they exist, regardless of whether or not they are long-range ordered. At 100 K, exposure to a 98 keV x-ray beam melts the long-range dimer order within a few seconds, though the local dimers remain intact. This shows that the metallic state accessed on warming and doping is qualitatively different from the state obtained under x-ray irradiation.

  15. Insulator-insulator and insulator-conductor transitions in the phase diagram of aluminium trichloride

    Directory of Open Access Journals (Sweden)

    Romina Ruberto


    Full Text Available We report a classical computer-simulation study of the phase diagram of AlCl3 in the pressure-temperature (p, T plane, showing (i that melting from a layered crystal structure occurs into a molecular liquid at low (p, T and into a dissociated ionic liquid at high (p, T, and (ii that a broad transition from a molecular insulator to an ionic conductor takes place in the liquid state.

  16. Nanostructured Anodic Multilayer Dielectric Stacked Metal-Insulator-Metal Capacitors. (United States)

    Karthik, R; Kannadassan, D; Baghini, Maryam Shojaei; Mallick, P S


    This paper presents the fabrication of Al2O3/TiO2/Al2O3 metal-insulator-metal (MIM) capacitor using anodization technique. High capacitance density of > 3.5 fF/μm2, low quadratic voltage coefficient of capacitance of capacitor.

  17. Charging damage in floating metal-insulator-metal capacitors

    NARCIS (Netherlands)

    Ackaert, Jan; Wang, Zhichun; De Backer, E.; Coppens, P.


    In this paper, charging induced damage (CID) to metal-insulator-metal capacitors (MIMC) is reported. The damage is caused by the build up of a voltage potential difference between the two plates of the capacitor. A simple logarithmic relation is discovered between the damage by this voltage

  18. Plasma damage in floating metal-insulator-metal capacitors

    NARCIS (Netherlands)

    Ackaert, Jan; Wang, Zhichun; De Backer, E.; Coppens, P.


    In this paper, charging induced damage (CID) to metal-insulator-metal capacitors (MIMCs), is reported. CID does not necessarily lead to direct yield loss, but may also induce latent damage leading to reliability losses. The damage is caused by the build up of a voltage potential difference between

  19. Electronic doping of transition metal oxide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Cammarata, Antonio, E-mail: [Department of Control Engineering, Czech Technical University in Prague, Technicka 2, 16627 Prague 6 (Czech Republic); Rondinelli, James M. [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States)


    CaFeO{sub 3} is a prototypical negative charge transfer oxide that undergoes electronic metal-insulator transition concomitant with a dilation and contraction of nearly rigid octahedra. Altering the charge neutrality of the bulk system destroys the electronic transition, while the structure is significantly modified at high charge content. Using density functional theory simulations, we predict an alternative avenue to modulate the structure and the electronic transition in CaFeO{sub 3}. Charge distribution can be modulated using strain-rotation coupling and thin film engineering strategies, proposing themselves as a promising avenue for fine tuning electronic features in transition metal-oxide perovskites.

  20. Metal–insulator transition in Ni-doped Na0.75CoO2: Insights from ...

    Indian Academy of Sciences (India)

    resistivity on lowering the temperature, with the metal-to-insulator transition temperature. (TMIT) increasing with the Ni ... The Ni-doped sample is seen to change over from a metallic to insulating behaviour at ~175 K. The ..... neutron diffraction to look for structural changes, viz., changes in bond lengths and site occupancies ...

  1. Massive Temperature-Induced Metal—Insulator Transition in Individual Nanowires of a Non-Stoichiometric Vanadium Oxide Bronze

    Energy Technology Data Exchange (ETDEWEB)

    Patridge, C.; Wu, T; Jaye, C; Ravel, B; Takeuchi, E; Fischer, D; Sambandamurthy, G; Banerjee, S


    Metal-insulator transitions in strongly correlated materials, induced by varying either temperature or dopant concentration, remain a topic of enduring interest in solid-state chemistry and physics owing to their fundamental importance in answering longstanding questions regarding correlation effects. We note here the unprecedented observation of a four-orders-of-magnitude metal-insulator transition in single nanowires of {delta}-K{sub x}V{sub 2}O{sub 5}, when temperature is varied, which thus represents a rare new addition to the pantheon of materials exhibiting pronounced metal-insulator transitions in proximity to room temperature.

  2. Oligocyclopentadienyl transition metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    de Azevedo, Cristina G.; Vollhardt, K. Peter C.


    Synthesis, characterization, and reactivity studies of oligocyclopentadienyl transition metal complexes, namely those of fulvalene, tercyclopentadienyl, quatercyclopentadienyl, and pentacyclopentadienyl(cyclopentadienyl) are the subject of this account. Thermal-, photo-, and redox chemistries of homo- and heteropolynuclear complexes are described.

  3. Holographic Metals and Insulators with Helical Symmetry

    CERN Document Server

    Donos, Aristomenis; Kiritsis, Elias


    Homogeneous, zero temperature scaling solutions with Bianchi VII spatial geometry are constructed in Einstein-Maxwell-Dilaton theory. They correspond to quantum critical saddle points with helical symmetry at finite density. Assuming $AdS_{5}$ UV asymptotics, the small frequency/(temperature) dependence of the AC/(DC) electric conductivity along the director of the helix are computed. A large class of insulating and conducting anisotropic phases is found, as well as isotropic, metallic phases. Conduction can be dominated by dissipation due to weak breaking of translation symmetry or by a quantum critical current.

  4. Superconductivity in transition metals. (United States)

    Slocombe, Daniel R; Kuznetsov, Vladimir L; Grochala, Wojciech; Williams, Robert J P; Edwards, Peter P


    A qualitative account of the occurrence and magnitude of superconductivity in the transition metals is presented, with a primary emphasis on elements of the first row. Correlations of the important parameters of the Bardeen-Cooper-Schrieffer theory of superconductivity are highlighted with respect to the number of d-shell electrons per atom of the transition elements. The relation between the systematics of superconductivity in the transition metals and the periodic table high-lights the importance of short-range or chemical bonding on the remarkable natural phenomenon of superconductivity in the chemical elements. A relationship between superconductivity and lattice instability appears naturally as a balance and competition between localized covalent bonding and so-called broken covalency, which favours d-electron delocalization and superconductivity. In this manner, the systematics of superconductivity and various other physical properties of the transition elements are related and unified. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  5. Understanding metal–insulator transition in sodium tungsten bronze

    Indian Academy of Sciences (India)

    ARPES) and spectro- microscopy studies to understand the metal–insulator transition (MIT) observed in sodium tungsten bronzes, NaxWO3. The experimentally determined band structure is compared with the theoretical calculation based on ...

  6. Ground-state tuning of metal-insulator transition by compositional variations in BaI r1 -xR uxO3(0 ≤x ≤1 ) (United States)

    Yuan, S. J.; Butrouna, K.; Terzic, J.; Zheng, H.; Aswartham, S.; DeLong, L. E.; Ye, Feng; Schlottmann, P.; Cao, G.


    Hexagonal BaIr O3 is a magnetic insulator driven by the spin-orbit interaction (SOI), whereas BaRu O3 is an enhanced paramagnetic metal. Our investigation of structural, magnetic, transport, and thermal properties reveals that substitution of R u4 + (4 d4 ) ions for I r4 + (5 d5 ) ions in BaIr O3 reduces the magnitudes of the SOI and a monoclinic structural distortion and rebalances the competition between the SOI and the lattice degrees of freedom to render an evolution from a magnetic insulting state to a robust metallic state. The central findings of this paper are as follows: (1) light Ru doping (0 metallic state without any long-range magnetic order. All results suggest a critical role of the lattice degrees of freedom in determining the ground state in the heavy transition-metal oxides.

  7. Plasmon filters and resonators in metal-insulator-metal waveguides. (United States)

    Neutens, P; Lagae, L; Borghs, G; Van Dorpe, P


    We present the numerical and experimental demonstration of plasmonic Bragg filters and resonators inside metal-insulator-metal (MIM) waveguides. The presented filters and resonators are fabricated using standard top down lithography methods. The optical bandgap of the integrated Bragg filters is experimentally observed and its optical properties are investigated as a function of the grating pitch and the number of grating periods. Transmission filters based on a nanocavity resonance were measured, obtaining Q-factors above 30. Tuning of the cavity wavelength was experimentally achieved by varying the cavity length.

  8. Disorder-induced transitions in resonantly driven Floquet topological insulators (United States)

    Titum, Paraj; Lindner, Netanel H.; Refael, Gil


    We investigate the effects of disorder in Floquet topological insulators (FTIs) occurring in semiconductor quantum wells. Such FTIs are induced by resonantly driving a transition between the valence and conduction bands. We show that when disorder is added, the topological nature of such FTIs persists as long as there is a mobility gap at the resonant quasienergy. For strong enough disorder, this gap closes and all the states become localized as the system undergoes a transition to a trivial insulator. Interestingly, the effects of disorder are not necessarily adverse: we show that in the same quantum well, disorder can also induce a transition from a trivial to a topological system, thereby establishing a Floquet topological Anderson insulator (FTAI). We identify the conditions on the driving field necessary for observing such a transition.

  9. Pressure effect on magnetic and insulator-metal transition of La.sub.0.67./sub.Pb.sub.0.33./sub.Mn.sub.0.9./sub.Co.sub.0.1./sub.O.sub.2.97./sub. ceramic

    Czech Academy of Sciences Publication Activity Database

    Mihalik, M.; Zentková, M.; Antoňák, M.; Arnold, Zdeněk; Kamarád, Jiří; Skorokhod, Yuriy; Gritzner, G.; Kiss, L. F.


    Roč. 32, č. 1 (2012), s. 145-149 ISSN 0895-7959. [Conference of the European High Pressure Research Group (EHPRG) /49./. Budapest, 28.08.2011-02.09.2011] Grant - others:VEGA(SK) 2/0057/27 Institutional research plan: CEZ:AV0Z10100521 Keywords : magnetic transition: insulator-metal transition * hydrostatic pressure * manganite Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.901, year: 2012

  10. Photo-induced insulator-metal transition in Pr0.6Ca0.4MnO3 thin films grown by pulsed laser deposition: Effect of thickness dependent structural and transport properties (United States)

    Elovaara, Tomi; Huhtinen, Hannu; Majumdar, Sayani; Paturi, Petriina


    We report photo-induced colossal magnetoresistive insulator-metal transition (IMT) in Pr0.6Ca0.4MnO3 thin films under much reduced applied magnetic field. The colossal effect was studied as a function of film thickness and thus with variable structural properties. Thorough structural, magnetic and magnetotransport characterization under light shows that the highest effect on the transition field can be obtained in the thinnest film (38 nm). However, due to the substrate induced strain of this film the required magnetic field for IMT is quite high. The best crystalline properties of the 110 nm film lead to the lowest IMT field under light and 109% change in resistance at 10 K. With increasing thickness, the film properties start to move more toward the bulk material and, hence, IMT is no more observed under the applied field of 9 T. Our results indicate that for obtaining large photo-induced CMR, the best epitaxial quality of thin films is essential.

  11. Engineering an Insulating Ferroelectric Superlattice with a Tunable Band Gap from Metallic Components (United States)

    Ghosh, Saurabh; Borisevich, Albina Y.; Pantelides, Sokrates T.


    The recent discovery of "polar metals" with ferroelectriclike displacements offers the promise of designing ferroelectrics with tunable energy gaps by inducing controlled metal-insulator transitions. Here we employ first-principles calculations to design a metallic polar superlattice from nonpolar metal components and show that controlled intermixing can lead to a true insulating ferroelectric with a tunable band gap. We consider a 2 /2 superlattice made of two centrosymmetric metallic oxides, La0.75 Sr0.25 MnO3 and LaNiO3 , and show that ferroelectriclike displacements are induced. The ferroelectriclike distortion is found to be strongly dependent on the carrier concentration (Sr content). Further, we show that a metal-to-insulator (MI) transition is feasible in this system via disproportionation of the Ni sites. Such a disproportionation and, hence, a MI transition can be driven by intermixing of transition metal ions between Mn and Ni layers. As a result, the energy gap of the resulting ferroelectric can be tuned by varying the degree of intermixing in the experimental fabrication method.

  12. Metal plating removal from insulator substrate using pulsed arc discharge (United States)

    Imasaka, K.; Gnapowski, S.; Akiyama, H.


    Removal technique of metal materials from a metal plating insulator substrate using a pulsed arc discharge was proposed and its fundamental characteristics were investigated. The metal plating substrate with three metal-layers structure (cupper, nickel and gold layers) is used as the sample substrate. Repetitive pulsed arc discharge plasma is generated using three types of electrode systems. Effects of the electrode systems on the metal plating removal from the insulator substrate were investigated. The metal plating was removed by the pulsed arc discharge between the electrode and substrate surface. A part of the gold layer, which is the topmost metal layer on the insulator substrate is vaporized and removed by the repetitive pulsed arc discharges.

  13. Enhanced superconductivity and superconductor to insulator transition in nano-crystalline molybdenum thin films

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Shilpam; Amaladass, E.P. [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Sharma, Neha [Surface & Nanoscience Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Harimohan, V. [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Amirthapandian, S. [Materials Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Mani, Awadhesh, E-mail: [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India)


    Disorder driven superconductor to insulator transition via intermediate metallic regime is reported in nano-crystalline thin films of molybdenum. The nano-structured thin films have been deposited at room temperature using DC magnetron sputtering at different argon pressures. The grain size has been tuned using deposition pressure as the sole control parameter. A variation of particle sizes, room temperature resistivity and superconducting transition has been studied as a function of deposition pressure. The nano-crystalline molybdenum thin films are found to have large carrier concentration but very low mobility and electronic mean free path. Hall and conductivity measurements have been used to understand the effect of disorder on the carrier density and mobilities. Ioffe-Regel parameter is shown to correlate with the continuous metal-insulator transition in our samples. - Highlights: • Thin films of molybdenum using DC sputtering have been deposited on glass. • Argon background pressure during sputtering was used to tune the crystallite sizes of films. • Correlation in deposition pressure, disorder and particle sizes has been observed. • Disorder tuned superconductor to insulator transition along with an intermediate metallic phase has been observed. • Enhancement of superconducting transition temperature and a dome shaped T{sub C} vs. deposition pressure phase diagram has been observed.

  14. A metal/insulator tunnel transistor with 16 nm channel length


    Sasajima, Ryouta; Fujimaru, Kouji; Matsumura, Hideki


    A nanometer transistor, metal/insulator tunnel transistor (MITT), which consists of only metal and insulator is experimentally studied. In the MITT, the Fowler-Nordheim tunneling currents through an insulator in lateral metal/insulator/metal structure are controlled by changing a voltage at a gate electrode upon the middle insulator, due to variation of tunnel-barrier thickness at the insulator. It is demonstrated that the MITT with 16 nm channel length fabricated by conventional photolithogr...

  15. Vacancies in transition metals

    International Nuclear Information System (INIS)

    Allan, G.; Lannoo, M.


    A calculation of the formation energy and volume for a vacancy in transition metals is described. A tight-binding scheme is used for the d band and a Born-Mayer type potential to account for the repulsive part of the energy at small distances. The results show that the relaxation energy is small in all cases, less than 0.1 eV. This seems to be coherent with the good agreement obtained for the theoretical and experimental values of the formation energy Esub(F)sup(V) of the vacancy, without including relaxation. The center of the transitional series is found to give a contraction (Formation volume of order -0.4 at.vol.) whereas the edges are found to produce dilations. (author)

  16. Large modification in insulator-metal transition of VO{sub 2} films grown on Al{sub 2}O{sub 3} (001) by high energy ion irradiation in biased reactive sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Azhan, Nurul Hanis; Okimura, Kunio, E-mail: [Graduate School of Science and Technology, Tokai University, Hiratsuka 259-1292 (Japan); Ohtsubo, Yoshiyuki; Kimura, Shin-ichi [Graduate School of Frontier Biosciences, Osaka University, Suita 565-0871 (Japan); Zaghrioui, Mustapha; Sakai, Joe [GREMAN, UMR 7347 CNRS, Université François Rabelais de Tours, Parc de Grandmont, 37200 Tours (France)


    High energy ion irradiation in biased reactive sputtering enabled significant modification of insulator-metal transition (IMT) properties of VO{sub 2} films grown on Al{sub 2}O{sub 3} (001). Even at a high biasing voltage with mean ion energy of around 325 eV induced by the rf substrate biasing power of 40 W, VO{sub 2} film revealed low IMT temperature (T{sub IMT}) at 309 K (36 °C) together with nearly two orders magnitude of resistance change. Raman measurements from −193 °C evidenced that the monoclinic VO{sub 2} lattice begins to transform to rutile-tetragonal lattice near room temperature. Raman spectra showed the in-plane compressive stress in biased VO{sub 2} films, which results in shortening of V–V distance along a-axis of monoclinic structure, a{sub M}-axis (c{sub R}-axis) and thus lowering the T{sub IMT}. In respect to that matter, significant effects in shortening the in-plane axis were observed through transmission electron microscopy observations. V2p{sub 3/2} spectra from XPS measurements suggested that high energy ion irradiation also induced oxygen vacancies and resulted for an early transition onset and rather broader transition properties. Earlier band gap closing against the temperature in VO{sub 2} film with higher biasing power was also probed by ultraviolet photoelectron spectroscopy. Present results with significant modification of IMT behavior of films deposited at high-energy ion irradiation with T{sub IMT} near the room temperature could be a newly and effective approach to both exploring mechanisms of IMT and further applications of this material, due to the fixed deposition conditions and rather thicker VO{sub 2} films.

  17. Local Peltier-effect-induced reversible metal–insulator transition in VO2 nanowires

    International Nuclear Information System (INIS)

    Takami, Hidefumi; Kanki, Teruo; Tanaka, Hidekazu


    We report anomalous resistance leaps and drops in VO 2 nanowires with operating current density and direction, showing reversible and nonvolatile switching. This event is associated with the metal–insulator phase transition (MIT) of local nanodomains with coexistence states of metallic and insulating phases induced by thermoelectric cooling and heating effects. Because the interface of metal and insulator domains has much different Peltier coefficient, it is possible that a significant Peltier effect would be a source of the local MIT. This operation can be realized by one-dimensional domain configuration in VO 2 nanowires because one straight current path through the electronic domain-interface enables theoretical control of thermoelectric effects. This result will open a new method of reversible control of electronic states in correlated electron materials.

  18. Local Peltier-effect-induced reversible metal–insulator transition in VO{sub 2} nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Takami, Hidefumi; Kanki, Teruo, E-mail:, E-mail:; Tanaka, Hidekazu, E-mail:, E-mail: [Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan)


    We report anomalous resistance leaps and drops in VO{sub 2} nanowires with operating current density and direction, showing reversible and nonvolatile switching. This event is associated with the metal–insulator phase transition (MIT) of local nanodomains with coexistence states of metallic and insulating phases induced by thermoelectric cooling and heating effects. Because the interface of metal and insulator domains has much different Peltier coefficient, it is possible that a significant Peltier effect would be a source of the local MIT. This operation can be realized by one-dimensional domain configuration in VO{sub 2} nanowires because one straight current path through the electronic domain-interface enables theoretical control of thermoelectric effects. This result will open a new method of reversible control of electronic states in correlated electron materials.

  19. A Difference in Using Atomic Layer Deposition or Physical Vapour Deposition TiN as Electrode Material in Metal-Insulator-Metal and Metal-Insulator-Silicon Capacitors

    NARCIS (Netherlands)

    Groenland, A.W.; Wolters, Robertus A.M.; Kovalgin, Alexeij Y.; Schmitz, Jurriaan


    In this work, metal-insulator-metal (MIM) and metal-insulator-silicon (MIS) capacitors are studied using titanium nitride (TiN) as the electrode material. The effect of structural defects on the electrical properties on MIS and MIM capacitors is studied for various electrode configurations. In the

  20. Recovery of the metal-insulator transition in electron-doped La{sub 0.7}Ce{sub 0.3}MnO{sub 3-{delta}} films by photoexcitation

    Energy Technology Data Exchange (ETDEWEB)

    Thiessen, Andreas; Beyreuther, Elke; Grafstroem, Stefan; Eng, Lukas M. [Institut fuer Angewandte Photophysik, TechnischeUniversitaet Dresden (Germany); Doerr, Kathrin [Institut fuer Metallische Werkstoffe, IFW Dresden (Germany)


    The question whether electron-doped mixed-valence manganites, such as La{sub 0.7}Ce{sub 0.3}MnO{sub 3}, can be synthesized as single-phase compounds has been under debate for a decade. Meanwhile it has become clear that electron doping can indeed be achieved in epitaxial thin films. However, as-prepared films often suffer from overoxygenation and concomitant hole doping, which can be overcome by deoxygenation through a post-deposition annealing procedure. Disappointingly, those reduced samples do not exhibit the typical metal-insulator transition (MIT) any longer. In the present work, we show that the MIT of La{sub 0.7}Ce{sub 0.3}MnO{sub 3-{delta}} films can be recovered by exposition to visible light. Our films turn out to be highly photoconductive: Laser illumination at 514 nm with a power of 400 mW gave rise to a dramatic resistance drop of around seven orders of magnitude at 100 K as compared to the dark state, while illumination had no impact on the conductivity of an as-prepared reference film.

  1. Understanding metal–insulator transition in sodium tungsten bronze

    Indian Academy of Sciences (India)


    May 20, 2015 ... We have carried out angle-resolved photoemission spectroscopy (ARPES) and spectromicroscopy studies to understand the metal–insulator transition (MIT) observed in sodium tungsten bronzes, NaWO3. The experimentally determined band structure is compared with the theoretical calculation based ...

  2. Determination of Insulator-to-Semiconductor Transition in Sol-Gel Oxide Semiconductors Using Derivative Spectroscopy

    Directory of Open Access Journals (Sweden)

    Woobin Lee


    Full Text Available We report a derivative spectroscopic method for determining insulator-to-semiconductor transition during sol-gel metal-oxide semiconductor formation. When an as-spun sol-gel precursor film is photochemically activated and changes to semiconducting state, the light absorption characteristics of the metal-oxide film is considerable changed particularly in the ultraviolet region. As a result, a peak is generated in the first-order derivatives of light absorption (A′ vs. wavelength (λ plots, and by tracing the peak center shift and peak intensity, transition from insulating-to-semiconducting state of the film can be monitored. The peak generation and peak center shift are described based on photon-energy-dependent absorption coefficient of metal-oxide films. We discuss detailed analysis method for metal-oxide semiconductor films and its application in thin-film transistor fabrication. We believe this derivative spectroscopy based determination can be beneficial for a non-destructive and a rapid monitoring of the insulator-to-semiconductor transition in sol-gel oxide semiconductor formation.

  3. Transition metals in carbohydrate chemistry

    DEFF Research Database (Denmark)

    Madsen, Robert


    This review describes the application of transition metal mediated reactions in carbohydrate synthesis. The different metal mediated transformations are divided into reaction types and illustrated by various examples on monosaccharide derivatives. Carbon-carbon bond forming reactions are further ...

  4. Single-crystal metal growth on amorphous insulating substrates. (United States)

    Zhang, Kai; Pitner, Xue Bai; Yang, Rui; Nix, William D; Plummer, James D; Fan, Jonathan A


    Metal structures on insulators are essential components in advanced electronic and nanooptical systems. Their electronic and optical properties are closely tied to their crystal quality, due to the strong dependence of carrier transport and band structure on defects and grain boundaries. Here we report a method for creating patterned single-crystal metal microstructures on amorphous insulating substrates, using liquid phase epitaxy. In this process, the patterned metal microstructures are encapsulated in an insulating crucible, together with a small seed of a differing material. The system is heated to temperatures above the metal melting point, followed by cooling and metal crystallization. During the heating process, the metal and seed form a high-melting-point solid solution, which directs liquid epitaxial metal growth. High yield of single-crystal metal with different sizes is confirmed with electron backscatter diffraction images, after removing the insulating crucible. Unexpectedly, the metal microstructures crystallize with the [Formula: see text] direction normal to the plane of the film. This platform technology will enable the large-scale integration of high-performance plasmonic and electronic nanosystems.

  5. Presence of quantum diffusion in two dimensions: Universal resistance at the superconductor-insulator transition

    Energy Technology Data Exchange (ETDEWEB)

    Fisher, M.P.A.; Grinstein, G. (IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598 (US)); Girvin, S.M. (Physics Department, Swain Hall West 117, Indiana University, Bloomington, Indiana 47405 (USA))


    We argue that whenever the transition between the insulating and superconducting phases of a disordered two-dimensional Fermi system at zero temperature ({ital T}=0) is continuous, the system behaves like a normal metal right at the transition; i.e., the resistance has a finite, nonzero value at {ital T}=0. This value is {ital universal}---independent of all microscopic details. These features, consistent with recent measurements on disordered films, are hypothesized to apply to other 2D transitions at {ital T}=0, such as Anderson localization with spin-orbit coupling, and the quantum Hall effect.

  6. Transition from the diamagnetic insulator to ferromagnetic metal in La.sub.1-x./sub.Sr.sub.x./sub.CoO.sub.3./sub..

    Czech Academy of Sciences Publication Activity Database

    Knížek, Karel; Jirák, Zdeněk; Hejtmánek, Jiří; Novák, Pavel


    Roč. 322, 9-12 (2010), s. 1221-1223 ISSN 0304-8853 R&D Projects: GA AV ČR IAA100100611 Institutional research plan: CEZ:AV0Z10100521 Keywords : LnCoO 3 * GGA+U calculation * spin states transition Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.689, year: 2010

  7. Zeeman Field-``Rotated'' Transitions for Surface Chern Insulators (United States)

    Mele, E. J.; Zhang, Fan; Li, Xiao; Feng, Ji; Kane, C. L.


    Mirror symmetric surfaces of a topological crystalline insulator (e.g. SnTe) host even number of Dirac surface states. A surface Zeeman field generically gaps these states leading to a quantized anomalous Hall effect. Varying the direction of Zeeman field induces transitions between different surface insulating states with any two Chern numbers between -4 and 4. In the crystal frame the phase boundaries occur for field orientations which are great circles with (111)-like normals on a sphere. [arXiv:1309.7682

  8. Boson localization and the superfluid-insulator transition

    International Nuclear Information System (INIS)

    Fisher, M.P.A.; Weichman, P.B.; Grinstein, G.; Fisher, D.S.; Condensed Matter Physics 114-36, California Institute of Technology, Pasadena, California 91125; IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598; Joseph Henry Laboratory of Physics, Jadwin Hall, Princeton University, Princeton, New Jersey 08544)


    The phase diagrams and phase transitions of bosons with short-ranged repulsive interactions moving in periodic and/or random external potentials at zero temperature are investigated with emphasis on the superfluid-insulator transition induced by varying a parameter such as the density. Bosons in periodic potentials (e.g., on a lattice) at T=0 exhibit two types of phases: a superfluid phase and Mott insulating phases characterized by integer (or commensurate) boson densities, by the existence of a gap for particle-hole excitations, and by zero compressibility. Generically, the superfluid onset transition in d dimensions from a Mott insulator to superfluidity is ''ideal,'' or mean field in character, but at special multicritical points with particle-hole symmetry it is in the universality class of the (d+1)-dimensional XY model. In the presence of disorder, a third, ''Bose glass'' phase exists. This phase is insulating because of the localization effects of the randomness and analogous to the Fermi glass phase of interacting fermions in a strongly disordered potential

  9. Transition Metal Compounds Towards Holography

    Directory of Open Access Journals (Sweden)

    Volker Dieckmann


    Full Text Available We have successfully proposed the application of transition metal compounds in holographic recording media. Such compounds feature an ultra-fast light-induced linkage isomerization of the transition-metal–ligand bond with switching times in the sub-picosecond regime and lifetimes from microseconds up to hours at room temperature. This article highlights the photofunctionality of two of the most promising transition metal compounds and the photophysical mechanisms that are underlying the hologram recording. We present the latest progress with respect to the key measures of holographic media assembled from transition metal compounds, the molecular embedding in a dielectric matrix and their impressive potential for modern holographic applications.

  10. Quantitative study of the spin Hall magnetoresistance in ferromagnetic insulator/normal metal hybrids

    NARCIS (Netherlands)

    Althammer, M.; Meyer, S.; Nakayama, H.; Schreier, M.; Altmannshofer, S.; Weiler, M.; Huebl, H.; Gesprägs, S.; Opel, M.; Gross, R.; Meier, D.; Klewe, C.; Kuschel, T.; Schmalhorst, J.M.; Reiss, G.; Shen, L.; Gupta, A.; Chen, Y.T.; Bauer, G.E.W.; Saitoh, E.; Goennenwein, S.T.B.


    We experimentally investigate and quantitatively analyze the spin Hall magnetoresistance effect in ferromagnetic insulator/platinum and ferromagnetic insulator/nonferromagnetic metal/platinum hybrid structures. For the ferromagnetic insulator, we use either yttrium iron garnet, nickel ferrite, or

  11. Metal non-metal transitions in doped semiconductors

    International Nuclear Information System (INIS)

    Brezini, A.


    A disordered Hubbard model with diagonal disorder is used to examine the electron localization effects associated with both disorder and electron-electron interaction. Extensive results are reported on the ground state properties and compared with other theories. In particular two regimes are observed; when the electron-electron interaction U is greater than the disorder parameter and when is smaller. Furthermore the effect of including conduction-band minima into the calculation of metal-insulator transitions in doped Si and Ge is investigated with use of Berggren approach. Good agreement with experiments are found when both disorder and interactions are included. (author). 37 refs, 7 figs, 3 tabs

  12. Synchronous and asynchronous Mott transitions in topological insulator ribbons (United States)

    Medhi, Amal; Shenoy, Vijay B.; Krishnamurthy, H. R.


    We address how the nature of linearly dispersing edge states of two-dimensional (2D) topological insulators evolves with increasing electron-electron correlation engendered by a Hubbard-like on-site repulsion U in finite ribbons of two models of topological band insulators. Using an inhomogeneous cluster slave-rotor mean-field method developed here, we show that electronic correlations drive the topologically nontrivial phase into a Mott insulating phase via two different routes. In a synchronous transition, the entire ribbon attains a Mott insulating state at one critical U that depends weakly on the width of the ribbon. In the second, asynchronous route, Mott localization first occurs on the edge layers at a smaller critical value of electronic interaction, which then propagates into the bulk as U is further increased until all layers of the ribbon become Mott localized. We show that the kind of Mott transition that takes place is determined by certain properties of the linearly dispersing edge states which characterize the topological resilience to Mott localization.

  13. Electrical Conductivity in Transition Metals (United States)

    Talbot, Christopher; Vickneson, Kishanda


    The aim of this "Science Note" is to describe how to test the electron-sea model to determine whether it accurately predicts relative electrical conductivity for first-row transition metals. In the electron-sea model, a metal crystal is viewed as a three-dimensional array of metal cations immersed in a sea of delocalised valence…

  14. Coexistence of metallic and insulating channels in compressed YbB6 (United States)

    Ying, Jianjun; Tang, Lingyun; Chen, Fei; Chen, Xianhui; Struzhkin, Viktor V.


    It remains controversial whether compressed YbB6 material is a topological insulator or a Kondo topological insulator. We performed high-pressure transport, x-ray diffraction (XRD), x-ray absorption spectroscopy, and Raman-scattering measurements on YbB6 samples in search for its topological Kondo phase. Both high-pressure powder XRD and Raman measurements show no trace of structural phase transitions in YbB6 up to 50 GPa. The nonmagnetic Yb2 + gradually change to magnetic Yb3 + above 18 GPa concomitantly with the increase in resistivity. However, the transition to the insulating state occurs only around 30 GPa, accompanied by the increase in the shear stress, and anomalies in the pressure dependence of the Raman T2 g mode and in the B atomic position. The resistivity at high pressures can be described by a model taking into account coexisting insulating and metallic channels with the activation energy for the insulating channel about 30 meV. We argue that YbB6 may become a topological Kondo insulator at high pressures above 35 GPa.

  15. Electronic correlations in insulators, metals and superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Sentef, Michael Andreas


    In this thesis dynamical mean-field methods in combination with a continuous-time quantum Monte Carlo impurity solver are used to study selected open problems of condensed matter theory. These problems comprise the effect of correlations and their quantification in covalent band insulators, non-local correlation effects and their intriguing consequences in frustrated two-dimensional systems, and a phenomenological approach to investigate temperature-dependent transport in graphene in the presence of disorder. (orig.)

  16. Electronic correlations in insulators, metals and superconductors

    International Nuclear Information System (INIS)

    Sentef, Michael Andreas


    In this thesis dynamical mean-field methods in combination with a continuous-time quantum Monte Carlo impurity solver are used to study selected open problems of condensed matter theory. These problems comprise the effect of correlations and their quantification in covalent band insulators, non-local correlation effects and their intriguing consequences in frustrated two-dimensional systems, and a phenomenological approach to investigate temperature-dependent transport in graphene in the presence of disorder. (orig.)

  17. Magnetic correlations and quantum criticality in the insulating antiferromagnetic, insulating spin liquid, renormalized Fermi liquid, and metallic antiferromagnetic phases of the Mott system V2O3 (United States)

    Bao, Wei; Broholm, C.; Aeppli, G.; Carter, S. A.; Dai, P.; Rosenbaum, T. F.; Honig, J. M.; Metcalf, P.; Trevino, S. F.


    Magnetic correlations in all four phases of pure and doped vanadium sesquioxide (V2O3) have been examined by magnetic thermal-neutron scattering. Specifically, we have studied the antiferromagnetic and paramagnetic phases of metallic V2-yO3, the antiferromagnetic insulating and paramagnetic metallic phases of stoichiometric V2O3, and the antiferromagnetic and paramagnetic phases of insulating V1.944Cr0.056O3. While the antiferromagnetic insulator can be accounted for by a localized Heisenberg spin model, the long-range order in the antiferromagnetic metal is an incommensurate spin-density wave, resulting from a Fermi surface nesting instability. Spin dynamics in the strongly correlated metal are dominated by spin fluctuations with a ``single lobe'' spectrum in the Stoner electron-hole continuum. Furthermore, our results in metallic V2O3 represent an unprecedentedly complete characterization of the spin fluctuations near a metallic quantum critical point, and provide quantitative support for the self-consistent renormalization theory for itinerant antiferromagnets in the small moment limit. Dynamic magnetic correlations for ħωinsulator carry substantial magnetic spectral weight. However, they are extremely short-ranged, extending only to the nearest neighbors. The phase transition to the antiferromagnetic insulator, from the paramagnetic metal and the paramagnetic insulator, introduces a sudden switching of magnetic correlations to a different spatial periodicity which indicates a sudden change in the underlying spin Hamiltonian. To describe this phase transition and also the unusual short-range order in the paramagnetic state, it seems necessary to take into account the orbital degrees of freedom associated with the degenerate d orbitals at the Fermi level in V2O3.

  18. Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams. (United States)

    Cao, J; Ertekin, E; Srinivasan, V; Fan, W; Huang, S; Zheng, H; Yim, J W L; Khanal, D R; Ogletree, D F; Grossman, J C; Wu, J


    Correlated electron materials can undergo a variety of phase transitions, including superconductivity, the metal-insulator transition and colossal magnetoresistance. Moreover, multiple physical phases or domains with dimensions of nanometres to micrometres can coexist in these materials at temperatures where a pure phase is expected. Making use of the properties of correlated electron materials in device applications will require the ability to control domain structures and phase transitions in these materials. Lattice strain has been shown to cause the coexistence of metallic and insulating phases in the Mott insulator VO(2). Here, we show that we can nucleate and manipulate ordered arrays of metallic and insulating domains along single-crystal beams of VO(2) by continuously tuning the strain over a wide range of values. The Mott transition between a low-temperature insulating phase and a high-temperature metallic phase usually occurs at 341 K in VO(2), but the active control of strain allows us to reduce this transition temperature to room temperature. In addition to device applications, the ability to control the phase structure of VO(2) with strain could lead to a deeper understanding of the correlated electron materials in general.

  19. Universal scheme to generate metal–insulator transition in disordered systems

    International Nuclear Information System (INIS)

    Guo, Ai-Min; Xiong, Shi-Jie; Xie, X C; Sun, Qing-feng


    We propose a scheme to generate metal–insulator transition in the random binary layer (RBL) model, which is constructed by randomly assigning two types of layers along the longitudinal direction. Based on a tight-binding Hamiltonian, the localization length is calculated for a variety of RBLs with different cross section geometries by using the transfer-matrix method. Both analytical and numerical results show that a band of extended states could appear in the quasi-one-dimensional RBLs and the systems behave as metals by properly tuning the model parameters, due to the existence of a completely ordered subband, leading to a metal–insulator transition in parameter space. Furthermore, the extended states are irrespective of the diagonal and off-diagonal disorder strengths. Our results can be generalized to two- and three-dimensional disordered systems with arbitrary layer structures, and may be realized in Bose–Einstein condensates. (paper)

  20. Electron field emission from sp 2-induced insulating to metallic ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 33; Issue 3. Electron field emission from 2-induced insulating to metallic behaviour of amorphous carbon (-C) films. Pitamber Mahanandia P N Viswakarma Prasad Vishnu Bhotla S V Subramanyam Karuna Kar Nanda. Thin Films and Nanomatter Volume 33 Issue 3 ...

  1. Electron field emission from sp 2-induced insulating to metallic ...

    Indian Academy of Sciences (India)

    The influence of concentration and size of 2 cluster on the transport properties and electron field emissions of amorphous carbon films have been investigated. The observed insulating to metallic behaviour from reduced activation energy derived from transport measurement and threshold field for electron emission of ...

  2. Flux pumping for non-insulated and metal-insulated HTS coils (United States)

    Ma, Jun; Geng, Jianzhao; Coombs, T. A.


    High-temperature superconducting (HTS) coils wound from coated conductors without turn-to-turn insulation (non-insulated (NI) coils) have been proven with excellent electrical and thermal performances. However, the slow charging of NI coils has been a long-lasting problem. In this work, we explore using a transformer-rectifier HTS flux pump to charge an NI coil and a metal-insulated coil. The charging performance comparison is made between different coils. Comprehensive study is done to thoroughly understand the electrical-magnetic transience in charging these coils. We will show that the low-voltage high-current flux pump is especially suitable for charging NI coils with very low characteristic resistance.

  3. Transport and screen blockage characteristics of reflective metallic insulation materials

    International Nuclear Information System (INIS)

    Brocard, D.N.


    In the event of a LOCA within a nuclear power plant, it is possible for insulation debris to be generated by the break jet. Such debris has the potential for PWR sump screen (or BWR RHR suction inlet) blockage and thus can affect the long-term recirculation capability. In addition to the variables of break jet location and orientation, the types and quantities of debris which could be generated are dependent on the insulation materials employed. This experimental investigation was limited to reflective metallic insulation and components thereof. The study was aimed at determining the flow velocities needed to transport the insulation debris to the sump screens and the resulting modes of screen blockage. The tests revealed that thin metallic foils (0.0025 in. and 0.004 in.) could transport at low flow velocities, 0.2 to 0.5 ft/sec. Thicker foils (0.008 in.) transported at higher velocities, 0.4 to 0.8 ft/sec, and as fabricated half cylinder insulation units required velocities in excess of 1.0 ft/sec for transport. The tests also provided information on screen blockage patterns that showed blockage could occur at the lower portion of the screen as foils readily flipped on the screen when reaching it

  4. Observation of the Quantum-Anomalous-Hall Insulator to Anderson Insulator Quantum Phase Transition in Magnetic Topological Insulators (United States)

    Chang, Cui-Zu; Zhao, Wei-Wei; Li, Jian; Jain, J. K.; Liu, Chaoxing; Moodera, Jagadeesh S.; Chan, Moses H. W.

    The quantum anomalous Hall (QAH) effect can be considered as the quantum Hall (QH) effect without external magnetic field, which can be realized by time reversal symmetry breaking in a topologically non-trivial system, and in thin films of magnetically-doped TI. A QAH system carries spin-polarized dissipationless chiral edge transport channels without the need for external energy input, hence may have huge impact on future electronic and spintronic device applications for ultralow-power consumption. The observation of QAH effect has opened up exciting new physics and thus understanding the physical nature of this novel topological quantum state, can lead to a rapid development of this field. In this talk, we will report our recent progress about the experimental observation of a quantum phase transition from a quantum-anomalous-Hall (QAH) insulator to an Anderson insulator by tuning the chemical potential, and finally discuss the existence of scaling behavior for this quantum phase transition. Work Supported by funding from NSF (DMR-1207469), NSF (DMR-0819762) (MIT MRSEC), ONR (N00014-13-1-0301), and the STC Center for Integrated Quantum Materials under NSF Grant DMR-1231319.

  5. Mott-to-Goodenough insulator-insulator transition in LiVO2 (United States)

    Subedi, Alaska


    I critically examine Goodenough's explanation for the experimentally observed phase transition in LiVO2 using microscopic calculations based on density functional and dynamical mean field theories. The high-temperature rhombohedral phase exhibits both magnetic and dynamical instabilities. Allowing a magnetic solution for the rhombohedral structure does not open an insulating gap, and an explicit treatment of the on-site Coulomb U interaction is needed to stabilize an insulating rhombohedral phase. The non-spin-polarized phonon dispersions of the rhombohedral phase show two unstable phonon modes at the wave vector (1/3 ,-1/3 ,0 ) that corresponds to the experimentally observed trimer forming instability. A full relaxation of the supercell corresponding to this instability yields a nonmagnetic state containing V3 trimers. These results are consistent with Goodenough's suggestion that the high-temperature phase is in the localized-electron regime and the transition to the low-temperature phase in the itinerant-electron regime is driven by V-V covalency.

  6. On the metal–insulator transition in vanadium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, Shigeji; Jovaini, Azita [Department of Physics, University at Buffalo, State University of New York, Buffalo, NY 14260-1500 (United States); Godoy, Salvador [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, México D.F. 04510 (Mexico); Suzuki, Akira, E-mail: [Department of Physics, Faculty of Science, Tokyo University of Science, Shinjyuku-ku, Tokyo 162-8601 (Japan)


    The conductivity σ of vanadium dioxide (VO{sub 2}) drops at a metal–insulator transition by four orders of magnitude due to the structural change between tetragonal and monoclinic crystals. In order to elucidate this conductivity drop, we introduce the semiclassical equation of motion to describe the dynamics of the conduction electron (wave packet), where the existence of a k-vector k is prerequisite for the conduction. We showed that the periodicity using the non-orthogonal bases does not legitimize the electron dynamics in solids. The theory suggests that the decrease in the dimensionality of the k-vectors due to the structural change is the cause of the conductivity drop. -- Highlights: ► The existence of k-vectors is prerequisite for the electrical conduction. ► The conductivity drop at the metal–insulator transition in VO{sub 2} arises directly from the lattice-structure transformation. ► The decrease in the dimensionality of the k-vectors going from the tetragonal to monoclinic crystal causes the conductivity drop.

  7. Calculation of metallic and insulating phases of V2O3 by hybrid density functionals (United States)

    Guo, Yuzheng; Clark, Stewart J.; Robertson, John


    The electronic structure of vanadium sesquioxide V2O3 in its different phases has been calculated using the screened exchange hybrid density functional. The hybrid functional accurately reproduces the experimental electronic properties of all three phases, the paramagnetic metal (PM) phase, the anti-ferromagnetic insulating phase, and the Cr-doped paramagnetic insulating (PI) phase. We find that a fully relaxed supercell model of the Cr-doped PI phase based on the corundum structure has a monoclinic-like local strain around the substitutional Cr atoms. This is found to drive the PI-PM transition, consistent with a Peierls-Mott transition. The PI phase has a calculated band gap of 0.15 eV, in good agreement with experiment.

  8. Effect of moisture on the electrical performance of transition-joints for medium voltage paper-insulated cables; Elektrische Beeintraechtigung durch Feuchtigkeit an oelgetraenkten Isolierpapieren. Mittelspannungsuebergangsmuffen

    Energy Technology Data Exchange (ETDEWEB)

    Cardinaels, Jos [Nexans Network Solution, Erembodegem (Belgium). Produktentwicklung; Baesch, Manfred [Nexans Power Accessories Germany, Dortmund (Germany). Produkt- und Qualitaetsmanagement


    Paper-insulated cables are constructed with an impervious metallic outer jacket in order to protect them against ingress of moisture. On 'modern' transition-joints to XLPE-insulated cables, this metal barrier is interrupted, hence, a risk of moisture penetration exists. This text presents measurements of water-vapour permeability of used materials and discusses the results of ageing tests. (orig.)

  9. Transition Metal Complexes and Catalysis

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 9. Transition Metal Complexes and Catalysis. Balaji R Jagirdar. General Article Volume 4 Issue 9 ... Author Affiliations. Balaji R Jagirdar1. Department of Inorganic & Physical Chemistry, Indian Institute of Science, Bangalore 560 012, India.

  10. Spin-transport-phenomena in metals, semiconductors, and insulators

    Energy Technology Data Exchange (ETDEWEB)

    Althammer, Matthias Klaus


    Assuming that one could deterministically inject, transport, manipulate, store and detect spin information in solid state devices, the well-established concepts of charge-based electronics could be transferred to the spin realm. This thesis explores the injection, transport, manipulation and storage of spin information in metallic conductors, semiconductors, as well as electrical insulators. On the one hand, we explore the spin-dependent properties of semiconducting zinc oxide thin films deposited via laser-molecular beam epitaxy (laser-MBE). After demonstrating that the zinc oxide films fabricated during this thesis have excellent structural, electrical, and optical properties, we investigate the spin-related properties by optical pump/probe, electrical injection/optical detection, and all electrical spin valve-based experiments. The two key results from these experiments are: (i) Long-lived spin states with spin dephasing times of 10 ns at 10 K related to donor bound excitons can be optically addressed. (ii) The spin dephasing times relevant for electrical transport-based experiments are {<=} 2 ns at 10 K and are correlated with structural quality. On the other hand we focus on two topics of current scientific interest: the comparison of the magnetoresistance to the magnetothermopower of conducting ferromagnets, and the investigation of pure spin currents generated in ferromagnetic insulator/normal metal hybrid structures. We investigate the magnetoresistance and magnetothermopower of gallium manganese arsenide and Heusler thin films as a function of external magnetic field orientation. Using a series expansion of the resistivity and Seebeck tensors and the inherent symmetry of the sample's crystal structure, we show that a full quantitative extraction of the transport tensors from such experiments is possible. Regarding the spin currents in ferromagnetic insulator/normal metal hybrid structures we studied the spin mixing conductance in yttrium iron garnet

  11. Some characteristics of metal migration in or on the surface of insulators

    International Nuclear Information System (INIS)

    Shields, R.B.


    This report reviews the migration of metals, principally silver, in or on the surface of insulating materials, by electrolytic processes. These processes are described for various metals, insulating materials and physical conditions, with numerous examples from the literature. While it is concluded that the only sure way to prevent degradation of insulation due to metal migration is to avoid the use of migration-prone metals, some other measures are mentioned which have been reported to reduce the extent of the growth. (author)

  12. Metal-Insulator-Semiconductor Nanowire Network Solar Cells. (United States)

    Oener, Sebastian Z; van de Groep, Jorik; Macco, Bart; Bronsveld, Paula C P; Kessels, W M M; Polman, Albert; Garnett, Erik C


    Metal-insulator-semiconductor (MIS) junctions provide the charge separating properties of Schottky junctions while circumventing the direct and detrimental contact of the metal with the semiconductor. A passivating and tunnel dielectric is used as a separation layer to reduce carrier recombination and remove Fermi level pinning. When applied to solar cells, these junctions result in two main advantages over traditional p-n-junction solar cells: a highly simplified fabrication process and excellent passivation properties and hence high open-circuit voltages. However, one major drawback of metal-insulator-semiconductor solar cells is that a continuous metal layer is needed to form a junction at the surface of the silicon, which decreases the optical transmittance and hence short-circuit current density. The decrease of transmittance with increasing metal coverage, however, can be overcome by nanoscale structures. Nanowire networks exhibit precisely the properties that are required for MIS solar cells: closely spaced and conductive metal wires to induce an inversion layer for homogeneous charge carrier extraction and simultaneously a high optical transparency. We experimentally demonstrate the nanowire MIS concept by using it to make silicon solar cells with a measured energy conversion efficiency of 7% (∼11% after correction), an effective open-circuit voltage (Voc) of 560 mV and estimated short-circuit current density (Jsc) of 33 mA/cm(2). Furthermore, we show that the metal nanowire network can serve additionally as an etch mask to pattern inverted nanopyramids, decreasing the reflectivity substantially from 36% to ∼4%. Our extensive analysis points out a path toward nanowire based MIS solar cells that exhibit both high Voc and Jsc values.

  13. Quantum phase transitions and local magnetism in Mott insulators: A local probe investigation using muons, neutrons, and photons (United States)

    Frandsen, Benjamin A.

    Mott insulators are materials in which strong correlations among the electrons induce an unconventional insulating state. Rich interplay between the structural, magnetic, and electronic degrees of freedom resulting from the electron correlation can lead to unusual complexity of Mott materials on the atomic scale, such as microscopically heterogeneous phases or local structural correlations that deviate significantly from the average structure. Such behavior must be studied by suitable experimental techniques, i.e. "local probes", that are sensitive to this local behavior rather than just the bulk, average properties. In this thesis, I will present results from our studies of multiple families of Mott insulators using two such local probes: muon spin relaxation (muSR), a probe of local magnetism; and pair distribution function (PDF) analysis of x-ray and neutron total scattering, a probe of local atomic structure. In addition, I will present the development of magnetic pair distribution function analysis, a novel method for studying local magnetic correlations that is highly complementary to the muSR and atomic PDF techniques. We used muSR to study the phase transition from Mott insulator to metal in two archetypal Mott insulating systems: RENiO3 (RE = rare earth element) and V2O3. In both of these systems, the Mott insulating state can be suppressed by tuning a nonthermal parameter, resulting in a "quantum" phase transition at zero temperature from the Mott insulating state to a metallic state. In RENiO3, this occurs through variation of the rare-earth element in the chemical composition; in V 2O3, through the application of hydrostatic pressure. Our results show that the metallic and Mott insulating states unexpectedly coexist in phase-separated regions across a large portion of parameter space near the Mott quantum phase transition and that the magnitude of the ordered antiferromagnetic moment remains constant across the phase diagram until it is abruptly

  14. Transition Metal Oxides: Many Body Physics Meets Solid State ...

    Indian Academy of Sciences (India)

    New two-fluid (localized + band electron) model for manganites · Slide 19 · Picturizing the ferro-insulator to ferro-metal transition and the 2-fluid model · Material Systematics (varying Do) ( For fixed EJT = 0.5 eV , U = 5 eV, JF ~ (Do)2 ) · Real space structure in the presence of long range Coulomb interactions · Slide 23.

  15. Homogeneous catalysis by transition metals

    International Nuclear Information System (INIS)

    Masters, K.


    Fundamentals of homogeneous catalysis by metal complex aAe presented in the monograph along with the mechanisms of practically all types of catalytic reactions proceeding in the presence of transition metal complexes. In particular, considered are: catalytic cycles for olefin hydrogenation in the presence of Ru(2) complex; for alkene epoxidation catalyzed by Mo(6); for alkene metathesis reaction catalyzed by Ta and W compounds. Catalytic systems on the basis of Zr, Mo, W, Ru complexes being in the stage of development of the processes of nitrogen fixation reductive oligomerization alkene activation are described. Bibliography contains more than 400 references

  16. 49 CFR 229.83 - Insulation or grounding of metal parts. (United States)


    ... 49 Transportation 4 2010-10-01 2010-10-01 false Insulation or grounding of metal parts. 229.83 Section 229.83 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD... System § 229.83 Insulation or grounding of metal parts. All unguarded noncurrent-carrying metal parts...

  17. Spin dynamics of the Kondo insulator CeNiSn approaching the metallic phase

    DEFF Research Database (Denmark)

    Schröder, A.; Aeppli, G.; Mason, T.E.


    The spin dynamics of Kondo insulators has been studied by high-resolution magnetic neutron spectroscopy at a triple-axes spectrometer on CeNi1-xCuxSn single crystals using a vertical 9 T magnet. While upon doping (x = 0.13) the spin gap of the Kondo insulator CeNiSn collapses at the transition...... to an antiferromagnetic ordered metallic Kondo compound, no such instability is observed in CeNiSn in magnetic fields up to 9 T. Both the sharp magnetic excitations (at 2 and 4 meV) appear significantly broader for energy and momentum transfer at high fields, while the ground-state correlations (probed by chi'(0)) remain...

  18. Metal-to-nonmetal transitions

    CERN Document Server

    Hensel, Friedrich; Holst, Bastian


    This book is devoted to nonmetal-to-metal transitions. The original ideas of Mott for such a transition in solids have been adapted to describe a broad variety of phenomena in condensed matter physics (solids, liquids, and fluids), in plasma and cluster physics, as well as in nuclear physics (nuclear matter and quark-gluon systems). The book gives a comprehensive overview of theoretical methods and experimental results of the current research on the Mott effect for this wide spectrum of topics. The fundamental problem is the transition from localized to delocalized states which describes the nonmetal-to-metal transition in these diverse systems. Based on the ideas of Mott, Hubbard, Anderson as well as Landau and Zeldovich, internationally respected scientists present the scientific challenges and highlight the enormous progress which has been achieved over the last years. The level of description is aimed to specialists in these fields as well as to young scientists who will get an overview for their own work...

  19. Flexible high-κ/Metal gate metal/insulator/metal capacitors on silicon (100) fabric

    KAUST Repository

    Rojas, Jhonathan Prieto


    Implementation of memory on bendable substrates is an important step toward a complete and fully developed notion of mechanically flexible computational systems. In this paper, we have demonstrated a simple fabrication flow to build metal-insulator-metal capacitors, key components of dynamic random access memory, on a mechanically flexible silicon (100) fabric. We rely on standard microfabrication processes to release a thin sheet of bendable silicon (area: 18 {\\ m cm}2 and thickness: 25 \\\\mu{\\ m m}) in an inexpensive and reliable way. On such platform, we fabricated and characterized the devices showing mechanical robustness (minimum bending radius of 10 mm at an applied strain of 83.33% and nominal strain of 0.125%) and consistent electrical behavior regardless of the applied mechanical stress. Furthermore, and for the first time, we performed a reliability study suggesting no significant difference in performance and showing an improvement in lifetime projections. © 1963-2012 IEEE.

  20. Transport properties of metal-metal and metal-insulator heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Fadlallah Elabd, Mohamed Mostafa


    In this study we present results of electronic structure and transport calculations for metallic and metal-insulator interfaces, based on density functional theory and the non-equilibrium Green's function method. Starting from the electronic structure of bulk Al, Cu, Ag, and Au interfaces, we study the effects of different kinds of interface roughness on the transmission coefficient (T(E)) and the I-V characteristic. In particular, we compare prototypical interface distortions, including vacancies, metallic impurities, non-metallic impurities, interlayer, and interface alloy. We find that vacancy sites have a huge effect on transmission coefficient. The transmission coefficient of non-metallic impurity systems has the same behaviour as the transmission coefficient of vacancy system, since these systems do not contribute to the electronic states at the Fermi energy. We have also studied the transport properties of Au-MgO-Au tunnel junctions. In particular, we have investigated the influence of the thickness of the MgO interlayer, the interface termination, the interface spacing, and O vacancies. Additional interface states appear in the O-terminated configuration due to the formation of Au-O bonds. An increasing interface spacing suppresses the Au-O bonding. Enhancement of T(E) depends on the position and density of the vacancies (the number of vacancies per unit cell). (orig.)

  1. Enantioselective, transition metal catalyzed cycloisomerizations. (United States)

    Marinetti, Angela; Jullien, Hélène; Voituriez, Arnaud


    This review illustrates enantioselective transition-metal promoted skeletal rearrangements of polyunsaturated substrates possessing olefin, alkyne or allene functions. These processes are classified according to the number of carbon atoms involved in the cyclization, from (1C+1C) to (2C+2C+2C) or (2C+5C) cyclizations. Thus, for instance, (1C+1C) processes are typified notably by Alder-ene type reactions taking place mainly under palladium and rhodium catalysis, in the presence of chiral phosphorus ligands. Also, rhodium, platinum, and gold promoted insertions of unsaturated carbon-carbon bonds into C-H bonds belong to this class. For each class of reactions or substrate type the best ligand-metal pairs are highlighted. Unfortunately, unlike other transition metal promoted reactions, the mechanisms of chiral induction and stereochemical pathways have not been established so far in any of these reactions. In only a few instances, qualitative heuristic models have been tentatively proposed. Although the available stereochemical information is systematically given here, the paper focuses mainly on synthetic aspects of enantioselective cycloisomerizations.

  2. Heterostructures of transition metal dichalcogenides

    KAUST Repository

    Amin, Bin


    The structural, electronic, optical, and photocatalytic properties of out-of-plane and in-plane heterostructures of transition metal dichalcogenides are investigated by (hybrid) first principles calculations. The out-of-plane heterostructures are found to be indirect band gap semiconductors with type-II band alignment. Direct band gaps can be achieved by moderate tensile strain in specific cases. The excitonic peaks show blueshifts as compared to the parent monolayer systems, whereas redshifts occur when the chalcogen atoms are exchanged along the series S-Se-Te. Strong absorption from infrared to visible light as well as excellent photocatalytic properties can be achieved.

  3. 2D transition metal dichalcogenides (United States)

    Manzeli, Sajedeh; Ovchinnikov, Dmitry; Pasquier, Diego; Yazyev, Oleg V.; Kis, Andras


    Graphene is very popular because of its many fascinating properties, but its lack of an electronic bandgap has stimulated the search for 2D materials with semiconducting character. Transition metal dichalcogenides (TMDCs), which are semiconductors of the type MX2, where M is a transition metal atom (such as Mo or W) and X is a chalcogen atom (such as S, Se or Te), provide a promising alternative. Because of its robustness, MoS2 is the most studied material in this family. TMDCs exhibit a unique combination of atomic-scale thickness, direct bandgap, strong spin-orbit coupling and favourable electronic and mechanical properties, which make them interesting for fundamental studies and for applications in high-end electronics, spintronics, optoelectronics, energy harvesting, flexible electronics, DNA sequencing and personalized medicine. In this Review, the methods used to synthesize TMDCs are examined and their properties are discussed, with particular attention to their charge density wave, superconductive and topological phases. The use of TMCDs in nanoelectronic devices is also explored, along with strategies to improve charge carrier mobility, high frequency operation and the use of strain engineering to tailor their properties.

  4. Cryogenic microwave imaging of metal–insulator transition in doped silicon

    KAUST Repository

    Kundhikanjana, Worasom


    We report the instrumentation and experimental results of a cryogenic scanning microwave impedance microscope. The microwave probe and the scanning stage are located inside the variable temperature insert of a helium cryostat. Microwave signals in the distance modulation mode are used for monitoring the tip-sample distance and adjusting the phase of the two output channels. The ability to spatially resolve the metal-insulator transition in a doped silicon sample is demonstrated. The data agree with a semiquantitative finite element simulation. Effects of the thermal energy and electric fields on local charge carriers can be seen in the images taken at different temperatures and dc biases. © 2011 American Institute of Physics.

  5. Simulated electron affinity tuning in metal-insulator-metal (MIM) diodes (United States)

    Mistry, Kissan; Yavuz, Mustafa; Musselman, Kevin P.


    Metal-insulator-metal diodes for rectification applications must exhibit high asymmetry, nonlinearity, and responsivity. Traditional methods of improving these figures of merit have consisted of increasing insulator thickness, adding multiple insulator layers, and utilizing a variety of metal contact combinations. However, these methods have come with the price of increasing the diode resistance and ultimately limiting the operating frequency to well below the terahertz regime. In this work, an Airy Function Transfer Matrix simulation method was used to observe the effect of tuning the electron affinity of the insulator as a technique to decrease the diode resistance. It was shown that a small increase in electron affinity can result in a resistance decrease in upwards of five orders of magnitude, corresponding to an increase in operating frequency on the same order. Electron affinity tuning has a minimal effect on the diode figures of merit, where asymmetry improves or remains unaffected and slight decreases in nonlinearity and responsivity are likely to be greatly outweighed by the improved operating frequency of the diode.

  6. Angle-resolved photoemission spectroscopy studies of metallic surface and interface states of oxide insulators (United States)

    Plumb, Nicholas C.; Radović, Milan


    Over the last decade, conducting states embedded in insulating transition metal oxides (TMOs) have served as gateways to discovering and probing surprising phenomena that can emerge in complex oxides, while also opening opportunities for engineering advanced devices. These states are commonly realized at thin film interfaces, such as the well-known case of LaAlO3 (LAO) grown on SrTiO3 (STO). In recent years, the use of angle-resolved photoemission spectroscopy (ARPES) to investigate the k-space electronic structure of such materials led to the discovery that metallic states can also be formed on the bare surfaces of certain TMOs. In this topical review, we report on recent studies of low-dimensional metallic states confined at insulating oxide surfaces and interfaces as seen from the perspective of ARPES, which provides a direct view of the occupied band structure. While offering a fairly broad survey of progress in the field, we draw particular attention to STO, whose surface is so far the best-studied, and whose electronic structure is probably of the most immediate interest, given the ubiquitous use of STO substrates as the basis for conducting oxide interfaces. The ARPES studies provide crucial insights into the electronic band structure, orbital character, dimensionality/confinement, spin structure, and collective excitations in STO surfaces and related oxide surface/interface systems. The obtained knowledge increases our understanding of these complex materials and gives new perspectives on how to manipulate their properties.

  7. Multilayered thermal insulation formed of zirconia bonded layers of zirconia fibers and metal oxide fibers and method for making same (United States)

    Wrenn, Jr., George E.; Holcombe, Jr., Cressie E.


    A multilayered thermal insulating composite is formed of a first layer of zirconia-bonded zirconia fibers for utilization near the hot phase or surface of a furnace or the like. A second layer of zirconia-bonded metal oxide fibers is attached to the zirconia fiber layer by a transition layer formed of intermingled zirconia fibers and metal oxide fibers. The thermal insulation is fabricated by vacuum molding with the layers being sequentially applied from aqueous solutions containing the fibers to a configured mandrel. A portion of the solution containing the fibers forming the first layer is intermixed with the solution containing the fibers of the second layer for forming the layer of mixed fibers. The two layers of fibers joined together by the transition layer are saturated with a solution of zirconium oxynitrate which provides a zirconia matrix for the composite when the fibers are sintered together at their nexi.

  8. Quantum spin/valley Hall effect and topological insulator phase transitions in silicene

    KAUST Repository

    Tahir, M.


    We present a theoretical realization of quantum spin and quantum valley Hall effects in silicene. We show that combination of an electric field and intrinsic spin-orbit interaction leads to quantum phase transitions at the charge neutrality point. This phase transition from a two dimensional topological insulator to a trivial insulating state is accompanied by a quenching of the quantum spin Hall effect and the onset of a quantum valley Hall effect, providing a tool to experimentally tune the topological state of silicene. In contrast to graphene and other conventional topological insulators, the proposed effects in silicene are accessible to experiments.

  9. Spin-filter effect in normal metal/ferromagnetic insulator/normal metal/superconductor structures

    International Nuclear Information System (INIS)

    Li, Hong; Yang, Wei; Yang, Xinjian; Qin, Minghui; Guo, Jianqin


    Taking into account the thickness of the ferromagnetic insulator, the spin-filter effect in normal metal/ferromagnetic insulator/normal metal/superconductor (NM/FI/NM/SC) junctions is studied based on the Blonder-Tinkham-Klapwijk (BTK) theory. It is shown that a spin-dependent energy shift during the tunneling process induces splitting of the subgap resonance peaks. The spin polarization due to the spin-filter effect of the FI causes an imbalance of the peaks heights and can enhance the Zeeman splitting of the gap peaks caused by an applied magnetic field. The spin-filter effect has no contribution to the proximity-effect-induced superconductivity in NM interlayer

  10. Generic trend of work functions in transition-metal carbides and nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Yoshitake, Michiko, E-mail: [MANA Nanoelectronics Materials Unit, National Institute for Materials Science, Tsukuba, Ibaraki 305-0003 (Japan)


    Transition-metal carbides and nitrides (TMCs and TMNs) are promising electrode materials for various electronic devices such as metal-oxide-semiconductor field-effect transistors and metal-insulator-metal capacitors. In this paper, the work functions of TMCs and TMNs are discussed systematically. Based upon the origin of the work function, the effect upon transition metal species by different periodic table groups is explained, carbides are compared with nitrides for the same transition metal, and the effect of carbon or nitrogen vacancies is discussed. In addition, a method to estimate the generic trend of the work function is proposed for TMC{sub x}, TMN{sub x}, TMC{sub 1−y}N{sub y} (transition metal carbonitrides), and TM{sub 1−z}TM′{sub z}C (alloy carbides)

  11. Optical control of capacitance in a metal-insulator-semiconductor diode with embedded metal nanoparticles (United States)

    Mikhelashvili, V.; Ankonina, G.; Kauffmann, Y.; Atiya, G.; Kaplan, W. D.; Padmanabhan, R.; Eisenstein, G.


    This paper describes a metal-insulator-semiconductor (MIS) capacitor with flat capacitance voltage characteristics and a small quadratic voltage capacitance coefficient. The device characteristics resemble a metal-insulator-metal diode except that here the capacitance depends on illumination and exhibits a strong frequency dispersion. The device incorporates Fe nanoparticles (NPs), mixed with SrF2, which are embedded in an insulator stack of SiO2 and HfO2. Positively charged Fe ions induce dipole type traps with an electronic polarization that is enhanced by photogenerated carriers injected from the substrate and/or by inter nanoparticle exchange of carriers. The obtained characteristics are compared with those of five other MIS structures: two based on Fe NPs, one with and the other without SrF2 sublayers. Additionally, devices contain Co NPs embedded in SrF2 sublayers, and finally, two structures have no NPs, with one based on a stack of SiO2 and HfO2 and the other which also includes SrF2. Only structures containing Fe NPs, which are incorporated into SrF2, yield a voltage independent capacitance, the level of which can be changed by illumination. These properties are essential in radio frequency/analog mixed signal applications.

  12. Dimensional crossover and cold-atom realization of gapless and semi-metallic Mott insulating phases (United States)

    Orth, Peter P.; Scheurer, Mathias; Rachel, Stephan


    We propose a realistic cold-atom setup which allows for a dimensional crossover from a two-dimensional quantum spin Hall insulating phase to a three-dimensional strong topological insulator phase by simply tuning the hopping between the layers. We further employ cluster slave-rotor mean-field theory to study the effect of additional Hubbard onsite interactions that give rise to various spin liquid-like phases such as gapless and semi-metallic Mott insulating states.

  13. Surface modification by metal ion implantation forming metallic nanoparticles in an insulating matrix

    International Nuclear Information System (INIS)

    Salvadori, M.C.; Teixeira, F.S.; Sgubin, L.G.; Cattani, M.; Brown, I.G.


    Highlights: • Metal nanoparticles can be produced through metallic ion implantation in insulating substrate, where the implanted metal self-assembles into nanoparticles. • The nanoparticles nucleate near the maximum of the implantation depth profile, that can be estimated by computer simulation using the TRIDYN. • Nanocomposites, obtained by this way, can be produced in different insulator materials. More specifically we have studied Au/PMMA (polymethylmethacrylate), Pt/PMMA, Ti/alumina and Au/alumina systems. • The nanocomposites were characterized by measuring the resistivity of the composite layer as function of the dose implanted, reaching the percolation threshold. • Excellent agreement was found between the experimental results and the predictions of the theory. - Abstract: There is special interest in the incorporation of metallic nanoparticles in a surrounding dielectric matrix for obtaining composites with desirable characteristics such as for surface plasmon resonance, which can be used in photonics and sensing, and controlled surface electrical conductivity. We have investigated nanocomposites produced by metal ion implantation into insulating substrates, where the implanted metal self-assembles into nanoparticles. The nanoparticles nucleate near the maximum of the implantation depth profile (projected range), which can be estimated by computer simulation using the TRIDYN code. TRIDYN is a Monte Carlo simulation program based on the TRIM (Transport and Range of Ions in Matter) code that takes into account compositional changes in the substrate due to two factors: previously implanted dopant atoms, and sputtering of the substrate surface. Our study show that the nanoparticles form a bidimentional array buried a few nanometers below the substrate surface. We have studied Au/PMMA (polymethylmethacrylate), Pt/PMMA, Ti/alumina and Au/alumina systems. Transmission electron microscopy of the implanted samples show that metallic nanoparticles form in

  14. Modeling and design methodology for metal-insulator-metal plasmonic Bragg reflectors. (United States)

    Hosseini, Amir; Nejati, Hamid; Massoud, Yehia


    In this paper, we present a modeling and design methodology based on characteristic impedance for plasmonic waveguides with Metal-Insulator-Metal (MIM) configuration. Finite-Difference Time-Domain (FDTD) simulations indicate that the impedance matching results in negligible reflection at discontinuities in MIM heterostructures. Leveraging the MIM impedance model, we present a general Transfer Matrix Method model for MIM Bragg reflectors and validate our model against FDTD simulations. We show that both periodically stacked dielectric layers of different thickness or different material can achieve the same performance in terms of propagation loss and minimum transmission at the central bandgap frequency in the case of a finite number of periods.

  15. All-optical logic gates in plasmonic metal-insulator-metal nanowaveguide with slot cavity resonator (United States)

    Dolatabady, Alireza; Granpayeh, Nosrat


    We demonstrate the compact all-optical logic XOR and OR gates in subwavelength plasmonic metal-insulator-metal waveguides with slot cavity resonators, especially for telecommunication wavelengths, with an extinction ratio of 25 dB, which can provide nanoscale logic integrated circuits. The gates behavior is based on suppression or enhancement of resonant modes in a slot cavity resonator induced by a change in position of input ports. The performance of the gates is discussed analytically and verified by the numerical method of finite-difference time-domain (FDTD).

  16. All-optical bit magnitude comparator device using metal-insulator-metal plasmonic waveguide (United States)

    Kumar, Santosh; Singh, Lokendra; Chen, Nan-Kuang


    A plasmonic metal-insulator-metal (MIM) waveguide has great success in confining the surface plasmon up to a deep subwavelength scale. The structure of a nonlinear Mach-Zehnder interferometer (MZI) using a plasmonic MIM waveguide has been analyzed. A one-bit magnitude comparator has been designed using an MZI and two linear control waveguides. The device works on the Kerr effect inside the plasmonics waveguide. The mathematical description of the device is explained. The simulation of the device is done using MATLAB® and the finite-difference time-domain (FDTD) method.

  17. Uncertainty relations and topological-band insulator transitions in 2D gapped Dirac materials. (United States)

    Romera, E; Calixto, M


    Uncertainty relations are studied for a characterization of topological-band insulator transitions in 2D gapped Dirac materials isostructural with graphene. We show that the relative or Kullback-Leibler entropy in position and momentum spaces, and the standard variance-based uncertainty relation give sharp signatures of topological phase transitions in these systems.

  18. Superconducting Metallic Glass Transition-Edge-Sensors (United States)

    Hays, Charles C. (Inventor)


    A superconducting metallic glass transition-edge sensor (MGTES) and a method for fabricating the MGTES are provided. A single-layer superconducting amorphous metal alloy is deposited on a substrate. The single-layer superconducting amorphous metal alloy is an absorber for the MGTES and is electrically connected to a circuit configured for readout and biasing to sense electromagnetic radiation.

  19. Calculation of metallic and insulating phases of V{sub 2}O{sub 3} by hybrid density functionals

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yuzheng; Robertson, John, E-mail: [Department of Engineering, University of Cambridge, Cambridge CB3 0FA (United Kingdom); Clark, Stewart J. [Department of Physics, University of Durham, Durham DH1 3LE (United Kingdom)


    The electronic structure of vanadium sesquioxide V{sub 2}O{sub 3} in its different phases has been calculated using the screened exchange hybrid density functional. The hybrid functional accurately reproduces the experimental electronic properties of all three phases, the paramagnetic metal (PM) phase, the anti-ferromagnetic insulating phase, and the Cr-doped paramagnetic insulating (PI) phase. We find that a fully relaxed supercell model of the Cr-doped PI phase based on the corundum structure has a monoclinic-like local strain around the substitutional Cr atoms. This is found to drive the PI-PM transition, consistent with a Peierls-Mott transition. The PI phase has a calculated band gap of 0.15 eV, in good agreement with experiment.

  20. Study on Track to Earth Insulation Defect Fault Location Method in Urban Mass Transit


    LIAO Hong-mei; WU Yu-ling; ZHANG Dong-liang; LI Guo-xin


    With the urban mass transit operating, due to the impact of natural and human factors, track to earth insulation defect will occur. Keeping track to earth resistance is an effective method of preventing stray current. When track to earth insulation defect occurs, the track to earth potential of the point will be nearly changed to zero.  We present the track to earth insulation defect fault location method based on the feature. And the method was simulated and analyzed, the results show the fa...

  1. Atomic scale 0-π transition and pairing symmetry in a Josephson junction with a ferromagnetic insulator

    International Nuclear Information System (INIS)

    Kawabata, S.; Kashiwaya, S.; Tanaka, Y.; Golubov, A. A.; Asano, Y.


    Full text: A superconducting ring with a π-junction made from superconductor (S) / ferromagnetic- metal (FM) / superconductor (S) exhibits a spontaneous current without an external magnetic field and the corresponding magnetic flux is half a flux quantum in the ground state. Such a π-ring provides so-called 'quiet qubit' that can be efficiently decoupled from the fluctuation of the external field. However, the usage of FM gives rise to strong Ohmic dissipation. Therefore, the realization of π-junctions without FM is highly desired for qubit applications. We theoretically consider the possibility of the π-junction formation in the mesoscopic Josephson junctions with ferromagnetic insulators (FI) by taking into account the band structure of such materials explicitly. In the case of the fully polarized FIs, e.g., La 2 BaCuO 5 (LBCO) and K 2 CuF 4 , we found the formation of a π-junction and a novel atomic-scale 0-π transition induced by increasing the FI thickness LF. In this talk, I will discuss a thermal stability and material-parameter dependences of the atomic-scale 0-π transition as well as possibility of the odd-frequency pairing in such systems. (author)

  2. A highly efficient surface plasmon polaritons excitation achieved with a metal-coupled metal-insulator-metal waveguide

    Directory of Open Access Journals (Sweden)

    Hongyan Yang


    Full Text Available We propose a novel metal-coupled metal-insulator-metal (MC-MIM waveguide which can achieve a highly efficient surface plasmon polaritons (SPPs excitation. The MC-MIM waveguide is formed by inserting a thin metal film in the insulator of an MIM. The introduction of the metal film, functioning as an SPPs coupler, provides a space for the interaction between SPPs and a confined electromagnetic field of the intermediate metal surface, which makes energy change and phase transfer in the metal-dielectric interface, due to the joint action of incomplete electrostatic shielding effect and SPPs coupling. Impacts of the metal film with different materials and various thickness on SPPs excitation are investigated. It is shown that the highest efficient SPPs excitation is obtained when the gold film thickness is 60 nm. The effect of refractive index of upper and lower symmetric dielectric layer on SPPs excitation is also discussed. The result shows that the decay value of refractive index is 0.3. Our results indicate that this proposed MC-MIM waveguide may offer great potential in designing a new SPPs source.

  3. Spin-filtering effect and proximity effect in normal metal/ferromagnetic insulator/normal metal/superconductor junctions

    International Nuclear Information System (INIS)

    Li Hong; Yang Wei; Yang Xinjian; Qin Minghui; Xu Yihong


    Taking into account the thickness of the ferromagnetic insulator (FI), the spin-filtering effect and proximity effect in normal metal/ferromagnetic insulator/normal metal/superconductor (NM/FI/NM/SC) junctions are studied based on an extended Blonder-Tinkham-Klapwijk (BTK) theory. It is shown that a spin-dependent energy shift during the tunneling process induces splitting of the sub-energy gap conductance peaks and the spin polarization in the ferromagnetic insulator causes an imbalance of the peak heights. Different from the ferromagnet the spin-filtering effect of the FI cannot cause the reversion of the normalized conductance in NM/FI/NM/SC junctions

  4. Theoretical analysis of a nanoscale plasmonic filter based on a rectangular metal-insulator-metal waveguide

    International Nuclear Information System (INIS)

    Yun Binfeng; Hu Guohua; Cui Yiping


    A compact and nanometric surface plasmon polariton (SPP) band-pass filter based on a rectangular ring resonator composed of metal-insulator-metal waveguides is proposed. Using the finite difference time domain method, the effects of the structure parameters on the transmission characteristics of this SPP band-pass filter are analysed in detail. The results show that the proposed SPP filter has narrow transmission peaks and the corresponding resonance wavelengths can be linearly tuned by altering the resonator's cavity length. Moreover, the transmission ratios of the pass bands can be tuned by changing the coupling gaps between the input/output MIM waveguides and the resonator. Also the metal loss and dispersion effects on the filter responses are included. The simple band-pass SPP filter is very promising for high-density SPP waveguide integrations.

  5. Thermal-performance study of liquid metal fast breeder reactor insulation

    International Nuclear Information System (INIS)

    Shiu, K.K.


    Three types of metallic thermal insulation were investigated analytically and experimentally: multilayer reflective plates, multilayer honeycomb composite, and multilayer screens. Each type was subjected to evacuated and nonevacuated conditions, where thermal measurements were made to determine thermal-physical characteristics. A variation of the separation distance between adjacent reflective plates of multilayer reflective plates and multilayer screen insulation was also experimentally studied to reveal its significance. One configuration of the multilayer screen insulation was further selected to be examined in sodium and sodium oxide environments. The emissivity of Type 304 stainless steel used in comprising the insulation was measured by employing infrared technology. A comprehensive model was developed to describe the different proposed types of thermal insulation. Various modes of heat transfer inherent in each type of insulation were addressed and their relative importance compared. Provision was also made in the model to allow accurate simulation of possible sodium and sodium oxide contamination of the insulation. The thermal-radiation contribution to heat transfer in the temperature range of interest for LMFBR's was found to be moderate, and the suppression of natural convection within the insulation was vital in preserving its insulating properties. Experimental data were compared with the model and other published results. Moreover, the three proposed test samples were assessed and compared under various conditions as viable LMFBR thermal insulations

  6. Thermal-performance study of liquid metal fast breeder reactor insulation

    Energy Technology Data Exchange (ETDEWEB)

    Shiu, Kelvin K.


    Three types of metallic thermal insulation were investigated analytically and experimentally: multilayer reflective plates, multilayer honeycomb composite, and multilayer screens. Each type was subjected to evacuated and nonevacuated conditions, where thermal measurements were made to determine thermal-physical characteristics. A variation of the separation distance between adjacent reflective plates of multilayer reflective plates and multilayer screen insulation was also experimentally studied to reveal its significance. One configuration of the multilayer screen insulation was further selected to be examined in sodium and sodium oxide environments. The emissivity of Type 304 stainless steel used in comprising the insulation was measured by employing infrared technology. A comprehensive model was developed to describe the different proposed types of thermal insulation. Various modes of heat transfer inherent in each type of insulation were addressed and their relative importance compared. Provision was also made in the model to allow accurate simulation of possible sodium and sodium oxide contamination of the insulation. The thermal-radiation contribution to heat transfer in the temperature range of interest for LMFBR's was found to be moderate, and the suppression of natural convection within the insulation was vital in preserving its insulating properties. Experimental data were compared with the model and other published results. Moreover, the three proposed test samples were assessed and compared under various conditions as viable LMFBR thermal insulations.

  7. Systematic study of metal-insulator-metal diodes with a native oxide

    KAUST Repository

    Donchev, E.


    © 2014 SPIE. In this paper, a systematic analysis of native oxides within a Metal-Insulator-Metal (MIM) diode is carried out, with the goal of determining their practicality for incorporation into a nanoscale Rectenna (Rectifying Antenna). The requirement of having a sub-10nm oxide scale is met by using the native oxide, which forms on most metals exposed to an oxygen containing environment. This, therefore, provides a simplified MIM fabrication process as the complex, controlled oxide deposition step is omitted. We shall present the results of an investigation into the current-voltage characteristics of various MIM combinations that incorporate a native oxide, in order to establish whether the native oxide is of sufficient quality for good diode operation. The thin native oxide layers are formed by room temperature oxidation of the first metal layer, deposited by magnetron sputtering. This is done in-situ, within the deposition chamber before depositing the second metal electrode. Using these structures, we study the established trend where the bigger the difference in metal workfunctions, the better the rectification properties of MIM structures, and hence the selection of the second metal is key to controlling the device\\'s rectifying properties. We show how leakage current paths through the non-optimised native oxide control the net current-voltage response of the MIM devices. Furthermore, we will present the so-called diode figures of merit (asymmetry, non-linearity and responsivity) for each of the best performing structures.

  8. Holographic entanglement entropy in two-order insulator/superconductor transitions

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Yan, E-mail:; Liu, Guohua


    We study holographic superconductor model with two orders in the five dimensional AdS soliton background away from the probe limit. We disclose properties of phase transitions mostly from the holographic topological entanglement entropy approach. Our results show that the entanglement entropy is useful in investigating transitions in this general model and in particular, there is a new type of first order phase transition in the insulator/superconductor system. We also give some qualitative understanding and obtain the analytical condition for this first order phase transition to occur. As a summary, we draw the complete phase diagram representing effects of the scalar charge on phase transitions.

  9. Reversible superconductor-insulator transition in LiTi2O4 induced by Li-ion electrochemical reaction. (United States)

    Yoshimatsu, K; Niwa, M; Mashiko, H; Oshima, T; Ohtomo, A


    Transition metal oxides display various electronic and magnetic phases such as high-temperature superconductivity. Controlling such exotic properties by applying an external field is one of the biggest continuous challenges in condensed matter physics. Here, we demonstrate clear superconductor-insulator transition of LiTi2O4 films induced by Li-ion electrochemical reaction. A compact electrochemical cell of pseudo-Li-ion battery structure is formed with a superconducting LiTi2O4 film as an anode. Li content in the film is controlled by applying a constant redox voltage. An insulating state is achieved by Li-ion intercalation to the superconducting film by applying reduction potential. In contrast, the superconducting state is reproduced by applying oxidation potential to the Li-ion intercalated film. Moreover, superconducting transition temperature is also recovered after a number of cycles of Li-ion electrochemical reactions. This complete reversible transition originates in difference in potentials required for deintercalation of initially contained and electrochemically intercalated Li(+) ions.

  10. A difference in using atomic layer deposition or physical vapour deposition TiN as electrode material in metal-insulator-metal and metal-insulator-silicon capacitors. (United States)

    Groenland, A W; Wolters, R A M; Kovalgin, A Y; Schmitz, J


    In this work, metal-insulator-metal (MIM) and metal-insulator-silicon (MIS) capacitors are studied using titanium nitride (TiN) as the electrode material. The effect of structural defects on the electrical properties on MIS and MIM capacitors is studied for various electrode configurations. In the MIM capacitors the bottom electrode is a patterned 100 nm TiN layer (called BE type 1), deposited via sputtering, while MIS capacitors have a flat bottom electrode (called BE type 2-silicon substrate). A high quality 50-100 nm thick SiO2 layer, made by inductively-coupled plasma CVD at 150 degrees C, is deposited as a dielectric on top of both types of bottom electrodes. BE type 1 (MIM) capacitors have a varying from low to high concentration of structural defects in the SiO2 layer. BE type 2 (MIS) capacitors have a low concentration of structural defects and are used as a reference. Two sets of each capacitor design are fabricated with the TiN top electrode deposited either via physical vapour deposition (PVD, i.e., sputtering) or atomic layer deposition (ALD). The MIM and MIS capacitors are electrically characterized in terms of the leakage current at an electric field of 0.1 MV/cm (I leak) and for different structural defect concentrations. It is shown that the structural defects only show up in the electrical characteristics of BE type 1 capacitors with an ALD TiN-based top electrode. This is due to the excellent step coverage of the ALD process. This work clearly demonstrates the sensitivity to process-induced structural defects, when ALD is used as a step in process integration of conductors on insulation materials.

  11. Further measurements of the sound insulations of metal-framed partitions (United States)

    Plumb, G. D.


    The sound insulations were measured of a number of single and double leaf metal-framed partitions. The purpose of the work was to develop alternative designs for partitions to that of the Camden. The Camden contains fiberboard as one of its constituent elements. The new partitions used plasterboard as the sole board material. Therefore, the new partitions were heavier than the comparable metal-framed partitions. The levels of sound insulation achieved from the new partitions were generally slightly higher than those of comparable metal-framed Camdens. However, the greater masses of the new partitions may rule out their use in certain circumstances because of the loadbearing requirements of the surrounding building. The installation of glass wool insulation batts in the cavities of the new partitions resulted in large increases in the measured sound insulations. The glass wool damps the motion of the boards and absorbs sound that has been transmitted into the cavities.

  12. Direct observation of quantum superconducting fluctuations across the 2D superconductor-insulator transition

    International Nuclear Information System (INIS)

    Armitage, N.P.; Crane, R.W.; Sambandamurthy, G.; Johansson, A.; Shahar, D.; Zaretskey, V.; Gruener, G.


    We review our recent measurements of the complex AC conductivity of thin InO x films studied as a function of magnetic field through the nominal 2D superconductor-insulator transition. These measurements-the first to probe anything other than the ω=0 response of these archetypical systems-reveal a significant finite frequency superfluid stiffness well into the insulating regime. Unlike conventional fluctuation superconductivity in which thermal fluctuations can give a superconducting response in regions of parameter space that do not exhibit long range order, these fluctuations are temperature independent as T→0 and are exhibited in samples where the resistance is large (greater than 10 6 Ω/□) and strongly diverging. We interpret this as the first direct observation of quantum superconducting fluctuations around an insulating ground state. This system serves as a prototype for other insulating states of matter that derive from superconductors

  13. Interfacial engineering of metal-insulator-semiconductor junctions for efficient and stable photoelectrochemical water oxidation (United States)

    Digdaya, Ibadillah A.; Adhyaksa, Gede W. P.; Trześniewski, Bartek J.; Garnett, Erik C.; Smith, Wilson A.


    Solar-assisted water splitting can potentially provide an efficient route for large-scale renewable energy conversion and storage. It is essential for such a system to provide a sufficiently high photocurrent and photovoltage to drive the water oxidation reaction. Here we demonstrate a photoanode that is capable of achieving a high photovoltage by engineering the interfacial energetics of metal-insulator-semiconductor junctions. We evaluate the importance of using two metals to decouple the functionalities for a Schottky contact and a highly efficient catalyst. We also illustrate the improvement of the photovoltage upon incidental oxidation of the metallic surface layer in KOH solution. Additionally, we analyse the role of the thin insulating layer to the pinning and depinning of Fermi level that is responsible to the resulting photovoltage. Finally, we report the advantage of using dual metal overlayers as a simple protection route for highly efficient metal-insulator-semiconductor photoanodes by showing over 200 h of operational stability.

  14. Correlated effective field theory in transition metal compounds

    International Nuclear Information System (INIS)

    Mukhopadhyay, Subhasis; Chatterjee, Ibha


    Mean field theory is good enough to study the physical properties at higher temperatures and in higher dimensions. It explains the critical phenomena in a restricted sense. Near the critical temperatures, when fluctuations become important, it may not give the correct results. Similarly in low dimensions, the correlations become important and the mean field theory seems to be inadequate to explain the physical phenomena. At low-temperatures too, the quantum correlations become important and these effects are to be treated in an appropriate way. In 1974, Prof. M.E. Lines of Bell Laboratories, developed a theory which goes beyond the mean field theory and is known as the correlated effective field (CEF) theory. It takes into account the fluctuations in a semiempirical way. Lines and his collaborators used this theory to explain the short-range correlations and their anisotropy in the paramagnetic phase. Later Suzuki et al., Chatterjee and Desai, Mukhopadhyay and Chatterjee applied this theory to the magnetically ordered phase and a tremendous success of the theory has been found in real systems. The success of the CEF theory is discussed in this review. In order to highlight the success of this theory, earlier effective field theories and their improvements over mean field theories e.g., Bethe-Peierls-Weiss method, reaction field approximation, etc., are also discussed in this review for completeness. The beauty of the CEF theory is that it is mean field-like, but captures the essential physics of real systems to a great extent. However, this is a weak correlated theory and as a result is inappropriate for the metallic phase when strong correlations become important. In recent times, transition metal oxides become important due to the discovery of the high-temperature superconductivity and the colossal magnetoresistance phenomena. These oxides seem to be Mott insulators and undergo an insulator to metal transition by applying magnetic field, pressure and by changing

  15. Efficient photocarrier injection in a transition metal oxide heterostructure

    CERN Document Server

    Muraoka, Y; Ueda, Y; Hiroi, Z


    An efficient method for doping a transition metal oxide (TMO) with hole carriers is presented: photocarrier injection (PCI) in an oxide heterostructure. It is shown that an insulating vanadium dioxide (VO sub 2) film is rendered metallic under light irradiation by PCI from an n-type titanium dioxide (TiO sub 2) substrate doped with Nb. Consequently, a large photoconductivity, which is exceptional for TMOs, is found in the VO sub 2 /TiO sub 2 :Nb heterostructure. We propose an electronic band structure where photoinduced holes created in TiO sub 2 :Nb can be transferred into the filled V 3d band via the low-lying O 2p band of VO sub 2. (letter to the editor)

  16. Polyoxometalate coordinated transition metal complexes as ...

    Indian Academy of Sciences (India)

    Keywords. Heptamolybdate type polyoxometalate cluster anion; transition metal coordination complexes; ... industrial chemistry. This oxidation can be divided into three categories: (i) the cleavage of the C=C bond by using the surface of the metal oxide, e.g., osmium or .... supported cobalt complexes (catalysts 1 and 2) pro-.

  17. Transition metal catalysis in confined spaces

    NARCIS (Netherlands)

    Leenders, S.H.A.M.; Gramage-Doria, R.; de Bruin, B.; Reek, J.N.H.


    Transition metal catalysis plays an important role in both industry and in academia where selectivity, activity and stability are crucial parameters to control. Next to changing the structure of the ligand, introducing a confined space as a second coordination sphere around a metal catalyst has

  18. Plasmons in metallic monolayer and bilayer transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Andersen, Kirsten; Thygesen, Kristian S.


    We study the collective electronic excitations in metallic single-layer and bilayer transition metal dichalcogenides (TMDCs) using time dependent density functional theory in the random phase approximation. For very small momentum transfers (below q≈0.02 Å−1), the plasmon dispersion follows the √q...

  19. Nanostructured bilayer anodic TiO2/Al2O3 metal-insulator-metal capacitor. (United States)

    Karthik, R; Kannadassan, D; Baghini, Maryam Shojaei; Mallick, P S


    This paper presents the fabrication of high performance bilayer TiO2/Al2O3 Metal-Insulator-Metal capacitor using anodization technique. A high capacitance density of 7 fF/microm2, low quadratic voltage coefficient of capacitance of 150 ppm/V2 and a low leakage current density of 9.1 nA/cm2 at 3 V are achieved which are suitable for Analog and Mixed signal applications. The influence of anodization voltage on structural and electrical properties of dielectric stack is studied in detail. At higher anodization voltages, we have observed the transformation of amorphous to crystalline state of TiO2/Al2O3 and improvement of electrical properties.

  20. Optical magnetism and plasmonic Fano resonances in metal-insulator-metal oligomers. (United States)

    Verre, R; Yang, Z J; Shegai, T; Käll, M


    The possibility of achieving optical magnetism at visible frequencies using plasmonic nanostructures has recently been a subject of great interest. The concept is based on designing structures that support plasmon modes with electron oscillation patterns that imitate current loops, that is, magnetic dipoles. However, the magnetic resonances are typically spectrally narrow, thereby limiting their applicability in, for example, metamaterial designs. We show that a significantly broader magnetic response can be realized in plasmonic pentamers constructed from metal-insulator-metal (MIM) sandwich particles. Each MIM unit acts as a magnetic meta-atom and the optical magnetism is rendered quasi-broadband through hybridization of the in-plane modes. We demonstrate that scattering spectra of individual MIM pentamers exhibit multiple Fano resonances and a broad subradiant spectral window that signals the magnetic interaction and a hierarchy of coupling effects in these intricate three-dimensional nanoparticle oligomers.

  1. Transition metal catalysis in confined spaces. (United States)

    Leenders, Stefan H A M; Gramage-Doria, Rafael; de Bruin, Bas; Reek, Joost N H


    Transition metal catalysis plays an important role in both industry and in academia where selectivity, activity and stability are crucial parameters to control. Next to changing the structure of the ligand, introducing a confined space as a second coordination sphere around a metal catalyst has recently been shown to be a viable method to induce new selectivity and activity in transition metal catalysis. In this review we focus on supramolecular strategies to encapsulate transition metal complexes with the aim of controlling the selectivity via the second coordination sphere. As we will discuss, catalyst confinement can result in selective processes that are impossible or difficult to achieve by traditional methods. We will describe the template-ligand approach as well as the host-guest approach to arrive at such supramolecular systems and discuss how the performance of the catalyst is enhanced by confining it in a molecular container.

  2. Transition metal contacts to graphene

    Energy Technology Data Exchange (ETDEWEB)

    Politou, Maria, E-mail:; De Gendt, Stefan; Heyns, Marc [KU Leuven, 3001 Leuven (Belgium); imec, Kapeldreef 75, 3001 Leuven (Belgium); Asselberghs, Inge; Radu, Iuliana; Conard, Thierry; Richard, Olivier; Martens, Koen; Huyghebaert, Cedric; Tokei, Zsolt [imec, Kapeldreef 75, 3001 Leuven (Belgium); Lee, Chang Seung [SAIT, Samsung Electronics Co., Suwon 443-803 (Korea, Republic of); Sayan, Safak [imec, Kapeldreef 75, 3001 Leuven (Belgium); Intel Corporation, 2200 Mission College Blvd, Santa Clara, California 95054 (United States)


    Achieving low resistance contacts to graphene is a common concern for graphene device performance and hybrid graphene/metal interconnects. In this work, we have used the circular Transfer Length Method (cTLM) to electrically characterize Ag, Au, Ni, Ti, and Pd as contact metals to graphene. The consistency of the obtained results was verified with the characterization of up to 72 cTLM structures per metal. Within our study, the noble metals Au, Ag and Pd, which form a weaker bond with graphene, are shown to result in lower contact resistance (Rc) values compared to the more reactive Ni and Ti. X-ray Photo Electron Spectroscopy and Transmission Electron Microscopy characterization for the latter have shown the formation of Ti and Ni carbides. Graphene/Pd contacts show a distinct intermediate behavior. The weak carbide formation signature and the low Rc values measured agree with theoretical predictions of an intermediate state of weak chemisorption of Pd on graphene.

  3. Technique for insulated and non-insulated metal liner X-pinch radiography on a 1 MA pulsed power machine (United States)

    Atoyan, L.; Shelkovenko, T. A.; Pikuz, S. A.; Hammer, D. A.; Byvank, T.; Greenly, J. B.; Potter, W. M.


    Broadband, high resolution X-pinch radiography has been demonstrated as a method to view the instability induced small scale structure that develops in near solid density regions of both insulated and non-insulated cylindrical metallic liners. In experiments carried out on a 1-1.2 MA 100-200 ns rise time pulsed power generator, μm scale features were imaged in initially 16 μm thick Al foil cylindrical liners. Better resolution and contrast were obtained using an X-ray sensitive film than with image plate detectors because of the properties of the X-pinch X-ray source. We also discuss configuration variations that were made to the simple cylindrical liner geometry that appeared to maintain validity of the small-scale structure measurements while improving measurement quality.

  4. Superconductor-insulator transition in two-dimensional dirty boson systems

    Energy Technology Data Exchange (ETDEWEB)

    Wallin, M. (Department of Theoretical Physics, Royal Institute of Technology, S-100 44 Stockholm (Sweden)); Sorensen, E.S. (Department of Physics, University of British Columbia, Vancouver, British Columbia, V6T 1Z1 (Canada)); Girvin, S.M. (Department of Physics, Indiana University, Bloomington, Indiana 47405 (United States)); Young, A.P. (Department of Physics, University of California, Santa Cruz, California 95064 (United States))


    Universal properties of the zero-temperature superconductor-insulator transition in two-dimensional amorphous films are studied by extensive Monte Carlo simulations of bosons in a disordered medium. We report results for both short-range and long-range Coulomb interactions for several different points in parameter space. In all cases we observe a transition from a superconducting phase to an insulating Bose glass phase. From finite-size scaling of our Monte Carlo data we determine the universal conductivity [sigma][sup *] and the critical exponents at the transition. The result [sigma][sup *]=(0.55[plus minus]0.66)(2[ital e])[sup 2]/[ital h] for bosons with long-range Coulomb interaction is roughly consistent with experiments reported so far. We also find [sigma][sup *]=(0.14[plus minus]0.03)(2[ital e])[sup 2]/[ital h] for bosons with short-range interactions.

  5. Metal-insulator-metal diodes with sub-nanometre surface roughness for energy-harvesting applications

    KAUST Repository

    Khan, A.A.


    For ambient radio-frequency (RF) energy harvesting, the available power levels are quite low, and it is highly desirable that the rectifying diodes do not consume any power at all. Contrary to semiconducting diodes, a tunnelling diode – also known as a metal-insulator-metal (MIM) diode – can provide zero-bias rectification, provided the two metals have different work functions. This could result in a complete passive rectenna system. Despite great potential, MIM diodes have not been investigated much in the GHz-frequency regime due to challenging nano-fabrication requirements. In this work, we investigate zero-bias MIM diodes for RF energy-harvesting applications. We studied the surface roughness issue for the bottom metal of the MIM diode for various deposition techniques such as sputtering, atomic layer deposition (ALD) and electron-beam (e-beam) evaporation for crystalline metals as well as for an amorphous alloy, namely ZrCuAlNi. A surface roughness of sub-1nm has been achieved for both the crystalline metals as well as the amorphous alloy, which is vital for the reliable operation of the MIM diode. An MIM diode comprising of a Ti-ZnO-Pt combination yields a zero-bias responsivity of 0.25V−1 and a dynamic resistance of 1200Ω. Complete RF characterisation has been performed by integrating the MIM diode with a coplanar waveguide transmission line. The input impedance varies from 100Ω to 50Ω in the frequency range of between 2GHz and 10GHz, which can be easily matched to typical antenna impedances in this frequency range. Finally, a rectified DC voltage of 4.7mV is obtained for an incoming RF power of 0.4W at zero bias. These preliminary results of zero-bias rectification indicate that complete, passive rectennas (a rectifier and antenna combination) are feasible with further optimisation of MIM devices.

  6. All-Graphene Planar Self-Switching MISFEDs, Metal-Insulator-Semiconductor Field-Effect Diodes


    Al-Dirini, Feras; Hossain, Faruque M.; Nirmalathas, Ampalavanapillai; Skafidas, Efstratios


    Graphene normally behaves as a semimetal because it lacks a bandgap, but when it is patterned into nanoribbons a bandgap can be introduced. By varying the width of these nanoribbons this band gap can be tuned from semiconducting to metallic. This property allows metallic and semiconducting regions within a single Graphene monolayer, which can be used in realising two-dimensional (2D) planar Metal-Insulator-Semiconductor field effect devices. Based on this concept, we present a new class of na...

  7. Strong-Superstrong Transition in Glass Transition of Metallic Glass

    International Nuclear Information System (INIS)

    Dan, Wang; Hong-Yan, Peng; Xiao-Yu, Xu; Bao-Ling, Chen; Chun-Lei, Wu; Min-Hua, Sun


    Dynamic fragility of bulk metallic glass (BMG) of Zr 64 Cu 16 Ni 10 Al 10 alloy is studied by three-point beam bending methods. The fragility parameter mfor Zr 64 Cu 16 Ni 10 Al 10 BMG is calculated to be 24.5 at high temperature, which means that the liquid is a 'strong' liquid, while to be 13.4 at low temperature which means that the liquid is a 'super-strong' liquid. The dynamical behavior of Zr 64 Cu 16 Ni 10 Al 10 BMG in the supercooled region undergoes a strong to super-strong transition. To our knowledge, it is the first time that a strong-to-superstrong transition is found in the metallic glass. Using small angle x-ray scattering experiments, we find that this transition is assumed to be related to a phase separation process in supercooled liquid. (condensed matter: structure, mechanical and thermal properties)

  8. Solubility of hydrogen in transition metals

    International Nuclear Information System (INIS)

    Lee, H.M.


    Correlations exist between the heat of solution of hydrogen and the difference in energy between the lowest lying energy levels of the trivalent d/sup n-1/s electronic configuration and the divalent d/sup n-2/s 2 (or the tetravalent d/sup n/) configuration of the neutral gaseous atoms. The trends observed in the transition metal series are discussed in relation to the number of valence electrons per atom in the transition elements in their metallic and neutral states

  9. Transfer-Free Electrical Insulation of Epitaxial Graphene from its Metal Substrate

    DEFF Research Database (Denmark)

    Lizzit, Silvano; Larciprete, Rosanna; Lacovig, Paolo


    High-quality, large-area epitaxial graphene can be grown on metal surfaces, but its transport properties cannot be exploited because the electrical conduction is dominated by the substrate. Here we insulate epitaxial graphene on Ru(0001) by a stepwise intercalation of silicon and oxygen......, and the eventual formation of a SiO2 layer between the graphene and the metal. We follow the reaction steps by X-ray photoemission spectroscopy and demonstrate the electrical insulation using a nanoscale multipoint probe technique....

  10. A dosemeter with a metal-insulator-semiconductor structure

    International Nuclear Information System (INIS)

    Digoy, J.-L.


    Description is given of a semiconducting device for measuring irradiation doses, this device being a Mosfet structure, field effect and insulated-gate device of revolution, with a cylindrical effective surface and ring-shaped source and drain. This can be applied to the measurement of doses up to 10 4 rads, for radiations of a few keV, in the field of in-vivo biology, in a flowing fluid [fr

  11. Magnetic correlations and quantum criticality in the insulating antiferromagnetic, insulating spin liquid, renormalized Fermi liquid, and metallic antiferromagnetic phases of the Mott system V{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Bao, W. [Physics Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Broholm, C. [Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218 (United States)]|[Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Aeppli, G. [NEC, 4 Independence Way, Princeton, New Jersey 08540 (United States); Carter, S.A. [Department of Physics, University of California, Santa Cruz, California 95064 (United States); Dai, P. [Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Rosenbaum, T.F. [James Franck Institute and Department of Physics, University of Chicago, Chicago, Illinois 60637 (United States); Honig, J.M.; Metcalf, P. [Department of Chemistry, Purdue University, West Lafayette, Indiana 47907 (United States); Trevino, S.F. [United States Army Research Laboratory, Adelphi, Maryland 20783 (United States)]|[Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)


    Magnetic correlations in all four phases of pure and doped vanadium sesquioxide (V{sub 2}O{sub 3}) have been examined by magnetic thermal-neutron scattering. Specifically, we have studied the antiferromagnetic and paramagnetic phases of metallic V{sub 2{minus}y}O{sub 3}, the antiferromagnetic insulating and paramagnetic metallic phases of stoichiometric V{sub 2}O{sub 3}, and the antiferromagnetic and paramagnetic phases of insulating V{sub 1.944}Cr{sub 0.056}O{sub 3}. While the antiferromagnetic insulator can be accounted for by a localized Heisenberg spin model, the long-range order in the antiferromagnetic metal is an incommensurate spin-density wave, resulting from a Fermi surface nesting instability. Spin dynamics in the strongly correlated metal are dominated by spin fluctuations with a {open_quotes}single lobe{close_quotes} spectrum in the Stoner electron-hole continuum. Furthermore, our results in metallic V{sub 2}O{sub 3} represent an unprecedentedly complete characterization of the spin fluctuations near a metallic quantum critical point, and provide quantitative support for the self-consistent renormalization theory for itinerant antiferromagnets in the small moment limit. Dynamic magnetic correlations for {h_bar}{omega}{lt}k{sub B}T in the paramagnetic insulator carry substantial magnetic spectral weight. However, they are extremely short-ranged, extending only to the nearest neighbors. The phase transition to the antiferromagnetic insulator, from the paramagnetic metal and the paramagnetic insulator, introduces a sudden switching of magnetic correlations to a different spatial periodicity which indicates a sudden change in the underlying spin Hamiltonian. To describe this phase transition and also the unusual short-range order in the paramagnetic state, it seems necessary to take into account the orbital degrees of freedom associated with the degenerate {ital d} orbitals at the Fermi level in V{sub 2}O{sub 3}. {copyright} {ital 1998} {ital The American

  12. Defect-Tolerant Monolayer Transition Metal Dichalcogenides

    DEFF Research Database (Denmark)

    Pandey, Mohnish; Rasmussen, Filip Anselm; Kuhar, Korina


    -principles investigation of defect tolerance in 29 monolayer transition metal dichalcogenides (TMDs) of interest for nanoscale optoelectronics. We find that the TMDs based on group VI and X metals form deep gap states upon creation of a chalcogen (S, Se, Te) vacancy, while the TMDs based on group IV metals form only...... shallow defect levels and are thus predicted to be defect-tolerant. Interestingly, all the defect sensitive TMDs have valence and conduction bands with a very similar orbital composition. This indicates a bonding/antibonding nature of the gap, which in turn suggests that dangling bonds will fall inside...

  13. Phase stability of transition metals and alloys

    International Nuclear Information System (INIS)

    Hixson, R.S.; Schiferl, D.; Wills, J.M.; Hill, M.A.


    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project was focused on resolving unexplained differences in calculated and measured phase transition pressures in transition metals. Part of the approach was to do new, higher accuracy calculations of transmission pressures for group 4B and group 6B metals. Theory indicates that the transition pressures for these baseline metals should change if alloyed with a d-electron donor metal, and calculations done using the Local Density Approximation (LDA) and the Virtual Crystal Approximation (VCA) indicate that this is true. Alloy systems were calculated for Ti, Zr and Hf based alloys with various solute concentrations. The second part of the program was to do new Diamond Anvil Cell (DAC) measurements to experimentally verify calculational results. Alloys were prepared for these systems with grain size suitable for Diamond Anvil Cell experiments. Experiments were done on pure Ti as well as Ti-V and Ti-Ta alloys. Measuring unambiguous transition pressures for these systems proved difficult, but a new technique developed yielded good results

  14. Dynamical Conductivity across the Disorder-Tuned Superconductor-Insulator Transition

    Directory of Open Access Journals (Sweden)

    Mason Swanson


    Full Text Available We calculate the dynamical conductivity σ(ω and the bosonic (pair spectral function P(ω from quantum Monte Carlo simulations across clean and disorder-driven superconductor-insulator transitions (SITs. We identify characteristic energy scales in the superconducting and insulating phases that vanish at the transition due to enhanced quantum fluctuations, despite the persistence of a robust fermionic gap across the SIT. Disorder leads to enhanced absorption in σ(ω at low frequencies compared to the SIT in a clean system. Disorder also expands the quantum critical region, due to a change in the universality class, with an underlying T=0 critical point with a universal low-frequency conductivity σ^{*}≃0.5(4e^{2}/h.

  15. Universal conductivity of dirty bosons at the superconductor-insulator transition

    Energy Technology Data Exchange (ETDEWEB)

    Sorensen, E.S.; Wallin, M.; Girvin, S.M.; Young, A.P. (University of California, Santa Cruz, California 95064 (United States) Department of Physics, Indiana University, Bloomington, Indiana 47405 (United States))


    The superconductor-insulator transition at zero temperature in two dimensions is studied by Monte Carlo simulations of interacting bosons (Cooper pairs) moving in a quenched random potential. We calculate the universal conductivity {sigma}{sup *} and the critical exponents at the superconductor-insulator transition. For the short-range repulsive case we find {sigma}{sup *}=(0.14{plus minus}0.03){sigma}{sub {ital Q}}, where {sigma}{sub {ital Q}}{sup {minus}1}=={ital R}{sub {ital Q}} =={ital h}/(2{ital e}){sup 2}{congruent}6.45{ital k}{Omega}, and for long-range Coulomb interactions we find {sigma}{sup *}=(0.55{plus minus}0.1){sigma}{sub {ital Q}}.

  16. Mesoporous Transition Metal Oxides for Supercapacitors

    Directory of Open Access Journals (Sweden)

    Yan Wang


    Full Text Available Recently, transition metal oxides, such as ruthenium oxide (RuO2, manganese dioxide (MnO2, nickel oxides (NiO and cobalt oxide (Co3O4, have been widely investigated as electrode materials for pseudo-capacitors. In particular, these metal oxides with mesoporous structures have become very hot nanomaterials in the field of supercapacitors owing to their large specific surface areas and suitable pore size distributions. The high specific capacities of these mesoporous metal oxides are resulted from the effective contacts between electrode materials and electrolytes as well as fast transportation of ions and electrons in the bulk of electrode and at the interface of electrode and electrolyte. During the past decade, many achievements on mesoporous transition metal oxides have been made. In this mini-review, we select several typical nanomaterials, such as RuO2, MnO2, NiO, Co3O4 and nickel cobaltite (NiCo2O4, and briefly summarize the recent research progress of these mesoporous transition metal oxides-based electrodes in the field of supercapacitors.

  17. Direct Fabrication of Inkjet-Printed Dielectric Film for Metal-Insulator-Metal Capacitors (United States)

    Cho, Cheng-Lin; Kao, Hsuan-ling; Wu, Yung-Hsien; Chang, Li-Chun; Cheng, Chun-Hu


    In this study, an inkjet-printed dielectric film that used a polymer-based SU-8 ink was fabricated for use in a metal-insulator-metal (MIM) capacitor. Thermal treatment of the inkjet-printed SU-8 polymer film affected its surface morphology, chemical structure, and surface wettability. A 20-min soft-bake at 60°C was applied to eliminate inkjet-printed bubbles and ripples. The ultraviolet-exposed SU-8 polymer film was crosslinked at temperatures between 120°C and 220°C and became disordered at 270°C, demonstrated using Fourier-transform infrared spectroscopy. A maximum SU-8 polymer film hard-bake temperature of 120°C was identified, and a printing process was subsequently employed because the appropriate water contact angle of the printed film was 79°. Under the appropriate inkjet printing conditions, the two-transmission-line method was used to extract the dielectric and electrical properties of the SU-8 polymer film, and the electrical behavior of the fabricated MIM capacitor was also characterized.

  18. Ultracompact, narrowband three-dimensional plasmonic waveguide Bragg grating in metal/multi-insulator/metal configuration. (United States)

    Chang, Yin-Jung; Chen, Chun-Yu


    Ultracompact three-dimensional (3D) waveguide plasmonic Bragg gratings in a metal/multi-insulator/metal (MMIM) configuration with sinusoidal width modulations are presented. A semi-analytical approach from the eigenvalue problem and finite transmission-line network perspectives is described to facilitate the 3D designs with Bragg wavelength errors being within the range of 0.12%-3.99%. A narrowband design operating in the 1550 nm band with a FWHM bandwidth of 10.8 nm and an extinction ratio of approximately 12 dB is numerically demonstrated within a footprint of periods). Unlike other types of plasmonic Bragg gratings, the bandwidth is increased as the MMIM grating length increases. The number of distinct plasmonic z-directed Poynting vector patterns within one period is found to be identical to the corresponding Bragg order. Narrowband characteristics are attributed to delicate, concurrent contra-flow interactions in and between photonic and plasmonic modes occurring simultaneously in multiple places within one period.

  19. A comparison in activity between transition-metal oxides and transition metals (United States)

    Vojvodic, Aleksandra; Studt, Felix; Abild-Pedersen, Frank; Bligaard, Thomas; Nørskov, Jens


    Transition-metal oxides are widely used materials in catalysis as substrates and promoters, but also as the active catalyst materials themselves. We compare the reactivity of transition-metal oxides with the one of transition metals. The comparison is exemplified for the ammonia synthesis reaction. First we show that there exist characteristic Brønsted-Evans Polanyi (BEP) relations (linear relations between transition state and dissociation energies) for dissociation of molecules on transition-metal oxides in the rutile and perovskite structure. It is well-known that the (211) metal surface is several orders of magnitude more reactive than the (111) metal surface due to the lower BEP line for the 211 facet. We find that both rutiles and perovskites follow BEP relations that are lower than the one of the 211 facet. Second we utilize the established BEP relations together with calculated adsorption energetics in a micro-kinetic model to obtain a volcano plot for the catalytic activity. We find that oxides have a higher turn over frequency as compared with metals. Hence, oxides intrinsically have a great advantage in terms of catalytic activity which opens up for catalyst design.

  20. First-row transition metal hydrogenation and hydrosilylation catalysts (United States)

    Trovitch, Ryan J.; Mukhopadhyay, Tufan K.; Pal, Raja; Levin, Hagit Ben-Daat; Porter, Tyler M.; Ghosh, Chandrani


    Transition metal compounds, and specifically transition metal compounds having a tetradentate and/or pentadentate supporting ligand are described, together with methods for the preparation thereof and the use of such compounds as hydrogenation and/or hydrosilylation catalysts.

  1. (Electronic structure and reactivities of transition metal clusters)

    Energy Technology Data Exchange (ETDEWEB)


    The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

  2. Metal insulator semiconductor solar cell devices based on a Cu2O substrate utilizing h-BN as an insulating and passivating layer

    International Nuclear Information System (INIS)

    Ergen, Onur; Gibb, Ashley; Vazquez-Mena, Oscar; Zettl, Alex; Regan, William Raymond


    We demonstrate cuprous oxide (Cu 2 O) based metal insulator semiconductor Schottky (MIS-Schottky) solar cells with efficiency exceeding 3%. A unique direct growth technique is employed in the fabrication, and hexagonal boron nitride (h-BN) serves simultaneously as a passivation and insulation layer on the active Cu 2 O layer. The devices are the most efficient of any Cu 2 O based MIS-Schottky solar cells reported to date

  3. Spin-Orbitronics at Transition Metal Interfaces

    KAUST Repository

    Manchon, Aurelien


    The presence of large spin–orbit interaction at transition metal interfaces enables the emergence of a variety of fascinating phenomena that have been at the forefront of spintronics research in the past 10 years. The objective of the present chapter is to offer a review of these various effects from a theoretical perspective, with a particular focus on spin transport, chiral magnetism, and their interplay. After a brief description of the orbital hybridization scheme at transition metal interfaces, we address the impact of spin–orbit coupling on the interfacial magnetic configuration, through the celebrated Dzyaloshinskii–Moriya interaction. We then discuss the physics of spin transport and subsequent torques occurring at these interfaces. We particularly address the spin Hall, spin swapping, and inverse spin-galvanic effects. Finally, the interplay between flowing charges and chiral magnetic textures and their induced dynamics are presented. We conclude this chapter by proposing some perspectives on promising research directions.

  4. The phosphorus and the transition metals chemistry

    International Nuclear Information System (INIS)

    Mathey, F.


    The 1988 progress report, concerning the Polytechnic School unit (France), which studies the phosphorus and the transition metals chemistry, is presented. The laboratory activities are related to the following topics: the phosporus heterocyclic chemistry, the phosphorus-carbon double bonds chemistry, the new transition metals phosphorus compounds, the phosphonates and their uses. Some practical applications of homogeneous catalysis and new materials synthesis are investigated. The main results obtained are: the discovery of the tetra-phosphafulvalenes, the utilization of a new synthesis method of the phosphorus-carbon double bonds and the stabilization of the α-phosphonyled carbanions by the lithium diisopropylamidourea. The papers, the congress communications and the thesis are also shown [fr

  5. Lattice Location of Transition Metals in Semiconductors

    CERN Multimedia


    %IS366 %title\\\\ \\\\Transition metals (TMs) in semiconductors have been the subject of considerable research for nearly 40 years. This is due both to their role as important model impurities for deep centers in semiconductors, and to their technological impact as widespread contaminants in Si processing, where the miniaturization of devices requires to keep their sheet concentration below 10$^{10}$ cm$^{-2}$. As a consequence of the low TM solubility, conventional ion beam methods for direct lattice location have failed completely in identifying the lattice sites of isolated transition metals. Although electron paramagnetic resonance (EPR) has yielded valuable information on a variety of TM centers, it has been unable to detect certain defects considered by theory, e.g., isolated interstitial or substitutional Cu in Si. The proposed identity of other EPR centers such as substitutional Fe in Si, still needs confirmation by additional experimental methods. As a consequence, the knowledge on the structural propert...

  6. The excitonic insulator route through a dynamical phase transition induced by an optical pulse

    Energy Technology Data Exchange (ETDEWEB)

    Brazovskii, S., E-mail: [Université Paris-Saclay, LPTMS, CNRS, Univ. Paris-sud (France); Kirova, N. [Université Paris-Saclay, LPS, CNRS, Univ. Paris-sud (France)


    We consider a dynamical phase transition induced by a short optical pulse in a system prone to thermodynamical instability. We address the case of pumping to excitons whose density contributes directly to the order parameter. To describe both thermodynamic and dynamic effects on equal footing, we adopt a view of the excitonic insulator for the phase transition and suggest a formation of the Bose condensate for the pumped excitons. The work is motivated by experiments in donor–acceptor organic compounds with a neutral- ionic phase transition coupled to the spontaneous lattice dimerization and to charge transfer excitons. The double nature of the ensemble of excitons leads to an intricate time evolution, in particular, to macroscopic quantum oscillations from the interference between the Bose condensate of excitons and the ground state of the excitonic insulator. The coupling of excitons and the order parameter also leads to self-trapping of their wave function, akin to self-focusing in optics. The locally enhanced density of excitons can surpass a critical value to trigger the phase transformation, even if the mean density is below the required threshold. The system is stratified in domains that evolve through dynamical phase transitions and sequences of merging. The new circumstances in experiments and theory bring to life, once again, some remarkable inventions made by L.V. Keldysh.

  7. The excitonic insulator route through a dynamical phase transition induced by an optical pulse (United States)

    Brazovskii, S.; Kirova, N.


    We consider a dynamical phase transition induced by a short optical pulse in a system prone to thermodynamical instability. We address the case of pumping to excitons whose density contributes directly to the order parameter. To describe both thermodynamic and dynamic effects on equal footing, we adopt a view of the excitonic insulator for the phase transition and suggest a formation of the Bose condensate for the pumped excitons. The work is motivated by experiments in donor-acceptor organic compounds with a neutral- ionic phase transition coupled to the spontaneous lattice dimerization and to charge transfer excitons. The double nature of the ensemble of excitons leads to an intricate time evolution, in particular, to macroscopic quantum oscillations from the interference between the Bose condensate of excitons and the ground state of the excitonic insulator. The coupling of excitons and the order parameter also leads to self-trapping of their wave function, akin to self-focusing in optics. The locally enhanced density of excitons can surpass a critical value to trigger the phase transformation, even if the mean density is below the required threshold. The system is stratified in domains that evolve through dynamical phase transitions and sequences of merging. The new circumstances in experiments and theory bring to life, once again, some remarkable inventions made by L.V. Keldysh.

  8. Transformation paths in transition-metal disilicides

    Czech Academy of Sciences Publication Activity Database

    Káňa, Tomáš; Šob, Mojmír; Vitek, V.


    Roč. 465, - (2011), s. 61-64 ISSN 1662-9795. [MSMF /6./ Materials Structure and Micromechanics of Fracture. Brno, 28.06.2010-30.06.2010] R&D Projects: GA AV ČR IAA100100920; GA MŠk(CZ) OC10008 Institutional research plan: CEZ:AV0Z20410507 Keywords : transition-metal disilicides * transformation path * structural stability * electronic structure Subject RIV: BM - Solid Matter Physics ; Magnetism

  9. Single-layer transition metal sulfide catalysts (United States)

    Thoma, Steven G [Albuquerque, NM


    Transition Metal Sulfides (TMS), such as molybdenum disulfide (MoS.sub.2), are the petroleum industry's "workhorse" catalysts for upgrading heavy petroleum feedstocks and removing sulfur, nitrogen and other pollutants from fuels. We have developed an improved synthesis technique to produce SLTMS catalysts, such as molybdenum disulfide, with potentially greater activity and specificity than those currently available. Applications for this technology include heavy feed upgrading, in-situ catalysis, bio-fuel conversion and coal liquefaction.

  10. Magnetic Interactions in Transition-Metal Oxides


    Solovyev, I. V.


    This a review article, which presents a general framework for the analysis of interatomic magnetic interactions in the spin-density-functional theory, which is based on the magnetic force theorem, make a link with the models for transition-metal oxides, and gives several examples of how this strategy can be used for the analysis of magnetic properties of colossal-magnetoresistive perovskite manganites, double perovskite and pyrochlore compounds.

  11. Magnetic and transport properties of Ni2MnGa-BaTiO3 metal-insulator particulate composite with percolation threshold

    International Nuclear Information System (INIS)

    Won, C.J.; Kambale, R.C.; Hur, N.


    Highlights: → The Ni 2 MnGa-BaTiO 3 type composites were first time prepared by solid state reaction. → Temperature dependent magnetic properties reveal two kinds of transitions in these composite. → The present materials show negative magnetoresistance effect. → The present studies on magnetic and electrical transport of metal/insulator (NMG/BTO) composites shows the resistivity change associated to filamentary conducting path at percolation threshold. - Abstract: Here we report the magnetic and transport properties of the metal/insulator (f NMG )Ni 2 MnGa/(1 - f NMG )BaTiO 3 composites. The X-ray diffraction study confirms the formation of both the phases in composite. The microstructure reveals that the conducting Ni 2 MnGa particles are well dispersed in an insulating BaTiO 3 matrix. Temperature dependent magnetization shows two transitions one above 300 K and other below 150 K. The temperature dependence resistivity near the percolation threshold f NMG = 0.4 had drastic changes which is higher than the f NMG = 0.5. Also the negative magnetoresistance effect was observed for the studied materials. We suggest that magnetic and transport properties at the percolation threshold can be adjusted by the strain from the surrounding insulator particle.

  12. Uniaxial pressure-induced half-metallic ferromagnetic phase transition in LaMnO3 (United States)

    Rivero, Pablo; Meunier, Vincent; Shelton, William


    We use first-principles theory to predict that the application of uniaxial compressive strain leads to a transition from an antiferromagnetic insulator to a ferromagnetic half-metal phase in LaMnO3. We identify the Q2 Jahn-Teller mode as the primary mechanism that drives the transition, indicating that this mode can be used to tune the lattice, charge, and spin coupling. Applying ≃6 GPa of uniaxial pressure along the [010] direction activates the transition to a half-metallic pseudocubic state. The half-metallicity opens the possibility of producing colossal magnetoresistance in the stoichiometric LaMnO3 compound at significantly lower pressure compared to recently observed investigations using hydrostatic pressure.

  13. Switching adhesion forces by crossing the metal–insulator transition in Magnéli-type vanadium oxide crystals

    Directory of Open Access Journals (Sweden)

    Bert Stegemann


    Full Text Available Magnéli-type vanadium oxides form the homologous series VnO2n-1 and exhibit a temperature-induced, reversible metal–insulator first order phase transition (MIT. We studied the change of the adhesion force across the transition temperature between the cleavage planes of various vanadium oxide Magnéli phases (n = 3 … 7 and spherical titanium atomic force microscope (AFM tips by systematic force–distance measurements with a variable-temperature AFM under ultrahigh vacuum conditions (UHV. The results show, for all investigated samples, that crossing the transition temperatures leads to a distinct change of the adhesion force. Low adhesion corresponds consistently to the metallic state. Accordingly, the ability to modify the electronic structure of the vanadium Magnéli phases while maintaining composition, stoichiometry and crystallographic integrity, allows for relating frictional and electronic material properties at the nano scale. This behavior makes the vanadium Magnéli phases interesting candidates for technology, e.g., as intelligent devices or coatings where switching of adhesion or friction is desired.

  14. Electronic structure of hcp transition metals

    DEFF Research Database (Denmark)

    Jepsen, O.; Andersen, O. Krogh; Mackintosh, A. R.


    Using the linear muffin-tin-orbital method described in the previous paper, we have calculated the electronic structures of the hcp transition metals, Zr, Hf, Ru, and Os. We show how the band structures of these metals may be synthesized from the sp and d bands, and illustrate the effects...... of hybridization, relativistic band shifts, and spin-orbit coupling by the example of Os. By making use of parameters derived from the muffin-tin potential, we discuss trends in the positions and widths of the energy bands, especially the d bands, as a function of the location in the periodic table. The densities...... of states of the four metals are presented, and the calculated heat capacities compared with experiment. The Fermi surfaces of both Ru and Os are found to be in excellent quantitative agreement with de Haas-van Alphen measurements, indicating that the calculated d-band position is misplaced by less than 10...

  15. Nanoscale Phase Separation and Lattice Complexity in VO2: The Metal–Insulator Transition Investigated by XANES via Auger Electron Yield at the Vanadium L23-Edge and Resonant Photoemission

    Directory of Open Access Journals (Sweden)

    Augusto Marcelli


    Full Text Available Among transition metal oxides, VO2 is a particularly interesting and challenging correlated electron material where an insulator to metal transition (MIT occurs near room temperature. Here we investigate a 16 nm thick strained vanadium dioxide film, trying to clarify the dynamic behavior of the insulator/metal transition. We measured (resonant photoemission below and above the MIT transition temperature, focusing on heating and cooling effects at the vanadium L23-edge using X-ray Absorption Near-Edge Structure (XANES. The vanadium L23-edges probe the transitions from the 2p core level to final unoccupied states with 3d orbital symmetry above the Fermi level. The dynamics of the 3d unoccupied states both at the L3- and at the L2-edge are in agreement with the hysteretic behavior of this thin film. In the first stage of the cooling, the 3d unoccupied states do not change while the transition in the insulating phase appears below 60 °C. Finally, Resonant Photoemission Spectra (ResPES point out a shift of the Fermi level of ~0.75 eV, which can be correlated to the dynamics of the 3d// orbitals, the electron–electron correlation, and the stability of the metallic state.

  16. Synthesis of arsenic transition metal sulfides and metal arsenides

    Energy Technology Data Exchange (ETDEWEB)

    Singhal, G.H.; Brown, L.D.; Ryan, D.F. [Exxon Research & Development Labs, Baton Rouge, LA (United States)


    One of the chief problems in upgrading shale oil is the presence of inherent arsenic which is known to poison downstream catalysts. Highly dispersed transition metal sulfides formed in situ from the decomposition of dithiocarbamate (DTC) complexes of transition metals show excellent potential as dearsenation agents. The authors have studied the reaction of these sulfides with various arsenic compositions and characterized the metal arsenides and arsenic metal sulfides formed as well as the ease of their formation. Thus, the reaction of bis(butyldithiocarbamato)Ni, (NiBuDTC) with model compounds was very facile and gave NiAs, NiAsS, and NiAs2=xSx. In general the effectiveness of the sulfides for dearsenation followed the sequence Ni>Mo{much_gt}Co, while iron sulfides were totally ineffective. Based upon these results, tests were run in autoclaves (as well as a fixed-bed flow-through unit) with NiBuDTC and shale oil having 73 ppm inherent As. Under optimum conditions, dearsenation down to les than 1 ppm was obtained.

  17. Quantum Monte Carlo study of the superconductor-insulator transition in the dual vortex representation (United States)

    Khan, Hasan; Gazit, Snir; Randeria, Mohit; Trivedi, Nandini

    The superconductor-insulator transition (SIT) in two dimensions is a paradigm for quantum criticality that has been observed experimentally in Josephson junction arrays, superconducting thin films, and cold atoms trapped in an optical lattice. The conventional picture of the transition is in terms of the condensation of bosonic degrees of freedom (Cooper pairs in superconductors). Interestingly, the transition has a dual description, where the insulating phase is a Bose condensate of vortices. We study the SIT numerically by means of a large-scale quantum Monte Carlo (QMC) simulation in the vortex representation. This provides direct access to both the boson and vortex degrees of freedom and allows us to numerically test the duality and quantify deviations from self-duality. Our main focus is on critical properties such as the vortex and the boson phase stiffness. We compare our results to previous studies in the bosonic representation. We acknowledge support from Grant DOE-BES DE-FG02-07ER46423 (HK, NT).

  18. Universal conductivity of two-dimensional films at the superconductor-insulator transition

    Energy Technology Data Exchange (ETDEWEB)

    Cha, M. (Department of Physics, Indiana University, Bloomington, Indiana (USA)); Fisher, M.P.A. (IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York (USA)); Girvin, S.M. (Department of Physics, Indiana University, Bloomington, Indiana (USA)); Wallin, M. (Department of Theoretical Physics, Umea University, S-90187 Umea (Sweden)); Young, A.P. (Service de Physique Theorique, Commissariat a l' Energie Atomique, Saclay 91191, Gif-sur-Yvette (France))


    The zero-temperature universal conductivity of two-dimensional (2D) films at the supeconductor-insulator transition is studied. The existence of a finite conductivity at {ital T}=0 and the universality class for this transition is discussed. Neglecting disorder as a first approximation, so the transition is from a commensurate Mott-Hubbard insulator to a superconductor, we calculate analytically the universal conductivity for the 2D pure boson Hubbard model up to the first order in a large-{ital N} expansion and numerically by Monte Carlo simulation of the (2+1)-D {ital XY} model. From the Monte Carlo results we find the universal conductivity to be {sigma}{sup *}=(0.285{plus minus}0.02){sigma}{sub {ital Q}}, where {sigma}{sub {ital Q}}{sup {minus}1}=={ital R}{sub {ital Q}}=={ital h}/(2{ital e}){sup 2}{approx}6.45 k{Omega}. An analysis in 1D suggests that in the presence of disorder, the universal conductivity in films might be somewhat smaller than this value. The possible existence of universal dissipation in {sup 4}He films is also discussed briefly.

  19. Metallic Interface Emerging at Magnetic Domain Wall of Antiferromagnetic Insulator: Fate of Extinct Weyl Electrons

    Directory of Open Access Journals (Sweden)

    Youhei Yamaji


    Full Text Available Topological insulators, in contrast to ordinary semiconductors, accompany protected metallic surfaces described by Dirac-type fermions. Here, we theoretically show that another emergent two-dimensional metal embedded in the bulk insulator is realized at a magnetic domain wall. The domain wall has long been studied as an ingredient of both old-fashioned and leading-edge spintronics. The domain wall here, as an interface of seemingly trivial antiferromagnetic insulators, emergently realizes a functional interface preserved by zero modes with robust two-dimensional Fermi surfaces, where pyrochlore iridium oxides proposed to host the condensed-matter realization of Weyl fermions offer such examples at low temperatures. The existence of in-gap states that are pinned at domain walls, theoretically resembling spin or charge solitons in polyacetylene, and protected as the edges of hidden one-dimensional weak Chern insulators characterized by a zero-dimensional class-A topological invariant, solves experimental puzzles observed in R_{2}Ir_{2}O_{7} with rare-earth elements R. The domain wall realizes a novel quantum confinement of electrons and embosses a net uniform magnetization that enables magnetic control of electronic interface transports beyond the semiconductor paradigm.

  20. Pressure induced phase transition behavior in selected A2B3 type topological insulator minerals (United States)

    Liu, H.; Liu, L. L.


    In this presentation, the recently projects from HIT Overseas Collaborative Base at Argonne, including phase transitions of selected A2B3 type topological insulator minerals upon compression at room and low temperature, studies on amorphous and melt samples under high pressure conditions using synchrotron x-ray 3D imaging techniques in diamond anvil cell and large volume press, etc, will be introduced. The advance of synchrotron greatly improved our knowledge of the minerals under pressure, which is critical for understanding the evolution of Earth.

  1. Planar heterostructures of single-layer transition metal dichalcogenides: Composite structures, Schottky junctions, tunneling barriers, and half metals (United States)

    Aras, Mehmet; Kılıç, ćetin; Ciraci, S.


    Planar composite structures formed from the stripes of transition metal dichalcogenides joined commensurately along their zigzag or armchair edges can attain different states in a two-dimensional (2D), single-layer, such as a half metal, 2D or one-dimensional (1D) nonmagnetic metal and semiconductor. Widening of stripes induces metal-insulator transition through the confinements of electronic states to adjacent stripes, that results in the metal-semiconductor junction with a well-defined band lineup. Linear bending of the band edges of the semiconductor to form a Schottky barrier at the boundary between the metal and semiconductor is revealed. Unexpectedly, strictly 1D metallic states develop in a 2D system along the boundaries between stripes, which pins the Fermi level. Through the δ doping of a narrow metallic stripe one attains a nanowire in the 2D semiconducting sheet or narrow band semiconductor. A diverse combination of constituent stripes in either periodically repeating or finite-size heterostructures can acquire critical fundamental features and offer device capacities, such as Schottky junctions, nanocapacitors, resonant tunneling double barriers, and spin valves. These predictions are obtained from first-principles calculations performed in the framework of density functional theory.

  2. Disappearance of nodal gap across the insulator-superconductor transition in a copper-oxide superconductor. (United States)

    Peng, Yingying; Meng, Jianqiao; Mou, Daixiang; He, Junfeng; Zhao, Lin; Wu, Yue; Liu, Guodong; Dong, Xiaoli; He, Shaolong; Zhang, Jun; Wang, Xiaoyang; Peng, Qinjun; Wang, Zhimin; Zhang, Shenjin; Yang, Feng; Chen, Chuangtian; Xu, Zuyan; Lee, T K; Zhou, X J


    The parent compound of the copper-oxide high-temperature superconductors is a Mott insulator. Superconductivity is realized by doping an appropriate amount of charge carriers. How a Mott insulator transforms into a superconductor is crucial in understanding the unusual physical properties of high-temperature superconductors and the superconductivity mechanism. Here we report high-resolution angle-resolved photoemission measurement on heavily underdoped Bi₂Sr₂-xLaxCuO(₆+δ) system. The electronic structure of the lightly doped samples exhibit a number of characteristics: existence of an energy gap along the nodal direction, d-wave-like anisotropic energy gap along the underlying Fermi surface, and coexistence of a coherence peak and a broad hump in the photoemission spectra. Our results reveal a clear insulator-superconductor transition at a critical doping level of ~0.10 where the nodal energy gap approaches zero, the three-dimensional antiferromagnetic order disappears, and superconductivity starts to emerge. These observations clearly signal a close connection between the nodal gap, antiferromagnetism and superconductivity.

  3. Evidence of photo-induced dynamic competition of metallic and insulating phase in a layered manganite (United States)

    Li, Yuelin; Walko, Donald A.; Li, Qing'an; Liu, Yaohua; Rosenkranz, Stephan; Zheng, Hong; Mitchell, J. F.


    We show evidence that the competition between the antiferromagetic metallic phase and the charge- and orbital-ordered insulating phase at the reentrant phase boundary of a layered manganite, La0.99Sr2.01Mn2O7, can be manipulated using ultrafast optical excitation. The time-dependent evolution of the Jahn-Teller superlattice reflection, which indicates the formation of the charge and orbital order, was measured at different laser fluences. The laser-induced enhancement and reduction the Jahn-Teller reflection intensity shows a reversal of sign between earlier (~10 ns) and later (~150 ns) time delays during the relaxation after photo excitation. This effect is consistent with a scenario whereby the laser excitation modulates the local competition between the metallic and the insulating phases.

  4. Periodic Hartree-Fock and hybrid density functional calculations on the metallic and the insulating phase of (EDO-TTF)2PF6. (United States)

    Linker, Gerrit-Jan; van Loosdrecht, Paul H M; van Duijnen, Piet Th; Broer, Ria


    The insulating and conducting phases of (EDO-TTF)2PF6 were studied by all electron, periodic Hartree-Fock and hybrid density functional calculations. Electronic properties, such as the electronic band structure, the density of states and the Fermi surface are discussed in relation to the metal-insulator transition in this material. The nature of conduction is confirmed in both phases from their band structures and density of states. The hybrid DFT band gaps are in good agreement with experiment. Interactions are discussed on the basis of band dispersion in the inter-stack, intra-stack and inter-sheet directions. We discuss the phase transition in terms of the Peierls mechanism and our results fully support this view.

  5. Magnetism and metal insulator transition in FeSi and FeGe. Ab Initio investigations of the electronic structure; Magnetismus und Metall-Isolator-Uebergang in FeSi und FeGe. Ab-initio-Untersuchungen der elektronischen Struktur

    Energy Technology Data Exchange (ETDEWEB)

    Neef, Matthias


    Aim of this thesis was to reach by a systematic study of different ab initio procedures an improved description of the electronic properties of FeSi and FeGe. Central result is the itinerant description of FeSi as a semiconductor in the neighbourhood of a ferromagnetic instability. The regardment of the nonlocal exchange in the effective one-particle approximation leads to a metastable magnetic state scarcely above the magnetic ground state. The application of the hybrid functional leads to a 1st order metal-isolator transition for large lattice parameters: FeSi transforms at increasement of the lattice parameter from an unmagnetic isolator to a magnetic metal. A similar behavior is found in the isostructural compound FeGe. The two systems FeSi and FeGe were systematically and detailedly analyzed by means of ab initio procedures. Thereby the structural, electronic, and magnetic properties were studied with DFT and HF calculations. Both calculations with spin polarization and without spin polarization were performed.

  6. Interface properties of SiO2/n-GaN metal-insulator-semiconductor structures


    Yoshitaka, Nakano; Takashi, Jimbo


    Electrical characterization of SiO2/n-GaN metal-insulator-semiconductor structures fabricated on sapphire substrates was performed by using high-frequency pulsed capacitance-voltage and capacitance-transient techniques. Fast and slow capacitance transients are clearly seen after applying reverse voltages, reflecting thermal emissions of carriers from the SiO2/GaN interface. The temperature dependence of the capacitance-voltage characteristics shows capacitance saturation in deep depletion (>1...

  7. Metal-enclosed, air-insulated traction switchgear - developments and applications

    Energy Technology Data Exchange (ETDEWEB)

    Loenard, D.; Northe, J. [Balfour Beatty Rail GmbH Power Systems, Offenbach (Germany)


    TracFeed {sup registered} TA switchgear series has been extended and successfully type tested under exceptional conditions for the requirements of 15 kV 16,7 Hz traction power supply systems. Therefore, air-insulated, metal-enclosed prefabricated switchgear systems are available for AC power supply with 15 kV 16,7 Hz in one- and two-pole configurations. The new switchgears are now in use in several installations. (orig.)

  8. Magnetic excitations in transition-metal ferromagnets

    International Nuclear Information System (INIS)

    Uemura, Y.J.


    A review is given on current neutron scattering experiments at Brookhaven National Laboratory on transition-metal ferromagnets Ni, Fe, Pd 2 MnSn and MnSi. The scattering intensity in constant-energy scans, observed above T/sub c/ in all of these materials, exhibited a clear peak at finite momentum transfers. Using a simple scattering function with double-Lorentzian shape, we demonstrate that this peak is a manifestation of simple diffusive spin fluctuations. Experimental results of several parameters are compared in the context of localized-moment and itinerant-electron pictures. The ratio of spin wave stiffness constant D and transition temperature kT/sub c/ is shown to be a good yardstick for the degree of itinerancy of d-electrons

  9. Versatile two-dimensional transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Canulescu, Stela; Affannoukoué, Kévin; Döbeli, Max

    Two-dimensional transition metal dichalcogenides (2D-TMDCs), such as MoS2, have emerged as a new class of semiconducting materials with distinct optical and electrical properties. The availability of 2D-TMDCs with distinct band gaps allows for unlimited combinations of TMDC monolayers (MLs...... vacancies. We have found that the absorption spectra of the MoS2 films exhibit distinct excitonic peaks at ~1.8 and ~2 eV when grown in the presence of a sulfur evaporation beam as compared to those deposited in vacuum. The structure of the PLD-grown MoS2 films will be further discussed based Raman...

  10. Magnetic correlations in doped transition metal oxides

    International Nuclear Information System (INIS)

    The authors review recent reactor- and spallation-source-based neutron scattering experiments on the magnetic fluctuations and order in a variety of doped transition metal oxides. In particular, data are shown for the NiO chain compound, Y 2-x Ca x BaNiO 5 , the two-dimensional cuprate superconductors La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 6+x , and the classical three-dimensional ''Mott-Hubbard'' system V 2-y O 3

  11. Magnetic Ground State Properties of Transition Metals

    DEFF Research Database (Denmark)

    Andersen, O. K.; Madsen, J.; Poulsen, U. K.


    We review a simple one-electron theory of the magnetic and cohesive properties of ferro- and nearly ferromagnetic transition metals at 0 K. The theory is based on the density functional formalism, it makes use of the local spin density and atomic sphere approximations and it may, with further...... approximations, be reduced to the Stoner model. Results for the volume dependence of the ferromagnetic moment and the electronic pressure of bcc, fcc and hcp Fe are presented, together with theoretical values for the equilibrium atomic volume, the bulk modulus, the ferromagnetic moment, the spin susceptibility...

  12. Superfluid-insulator transition in a disordered two-dimensional quantum rotor model with random on-site interactions (United States)

    An, Taeyang; Cha, Min-Chul


    We study the superfluid-insulator quantum phase transition in a disordered two-dimensional quantum rotor model with random on-site interactions in the presence of particle-hole symmetry. Via worm-algorithm Monte Carlo calculations of superfluid density and compressibility, we find the dynamical critical exponent z ~ 1 . 13 (2) and the correlation length critical exponent 1 / ν ~ 1 . 1 (1) . These exponents suggest that the insulating phase is a incompressible Mott glass rather than a Bose glass.


    Directory of Open Access Journals (Sweden)

    T. V. Koksharova


    Full Text Available The effect of anions on the structure and properties of coordination compounds of transition metals has been discussed. The examples of changes in the composition of the formed complexes by replacement of the anion are given: metal ratio to a neutral ligand, the composition of the inner sphere, the direction of template synthesis. Anions can determine the presence of isomers in complexes with different ligands. Examples of conformational, ionization isomerism, inner sphere bond isomerization are given. The nature of the coordination polyhedron is highly sensitive to the replacement of the anion too. Examples of coordination compounds where the anion change causes a change in coordination capacity of neutral ligands and the strength of their bonds with the metal, coordination number and geometry of the inner sphere, the organization of molecular structures (the structure of the hydrogen bond networks and the degree of polymerization, crystal packing. The anions significantly affect the binding of the solvent molecules, complexes magnetic and luminescent properties, they can change the compound color, the mechanisms of thermolysis. Anions make a very noticeable influence on possible redox processes following the complexation in some cases. Anions in the coordination sphere can change catalytic and biochemical processes as well as the ways of interaction of metal ions with drugs.

  14. Minimal Models for a Superconductor-Insulator Conformal Quantum Phase Transition

    CERN Document Server

    Diamantini, M Cristina


    Conformal field theories do not only classify 2D classical critical behavior but they also govern a certain class of 2D quantum critical behavior. In this latter case it is the ground state wave functional of the quantum theory that is conformally invariant, rather than the classical action. We show that the superconducting-insulating (SI) quantum phase transition in 2D Josephson junction arrays (JJAs) is a (doubled) $c=1$ Gaussian conformal quantum critical point. The quantum action describing this system is a doubled Maxwell-Chern-Simons model in the strong coupling limit. We also argue that the SI quantum transitions in frustrated JJAs realize the other possible universality classes of conformal quantum critical behavior, corresponding to the unitary minimal models at central charge $c=1-6/m(m+1)$.

  15. Valley polarized quantum Hall effect and topological insulator phase transitions in silicene

    KAUST Repository

    Tahir, M.


    The electronic properties of silicene are distinct from both the conventional two dimensional electron gas and the famous graphene due to strong spin orbit interaction and the buckled structure. Silicene has the potential to overcome limitations encountered for graphene, in particular the zero band gap and weak spin orbit interaction. We demonstrate a valley polarized quantum Hall effect and topological insulator phase transitions. We use the Kubo formalism to discuss the Hall conductivity and address the longitudinal conductivity for elastic impurity scattering in the first Born approximation. We show that the combination of an electric field with intrinsic spin orbit interaction leads to quantum phase transitions at the charge neutrality point, providing a tool to experimentally tune the topological state. Silicene constitutes a model system for exploring the spin and valley physics not accessible in graphene due to the small spin orbit interaction.

  16. Low leakage stoichiometric SrTiO{sub 3} dielectric for advanced metal-insulator-metal capacitors

    Energy Technology Data Exchange (ETDEWEB)

    Popovici, Mihaela; Kaczer, Ben; Redolfi, Augusto; Elshocht, Sven van; Jurczak, Malgorzata [imec Belgium, Leuven (Belgium); Afanas' ev, Valeri V. [Department of Physics and Astronomy, KU Leuven (Belgium); Sereni, Gabriele [DISMI, Universita degli Studi di Modena e Reggio Emilia, (Italy); Larcher, Luca [DISMI, Universita degli Studi di Modena e Reggio Emilia, (Italy); MDLab, Saint Christophe (Italy)


    Metal-insulator-metal capacitors (MIMCAP) with stoichiometric SrTiO{sub 3} dielectric were deposited stacking two strontium titanate (STO) layers, followed by intermixing the grain determining Sr-rich STO seed layer, with the Ti-rich STO top layer. The resulted stoichiometric SrTiO{sub 3} would have a structure with less defects as demonstrated by internal photoemission experiments. Consequently, the leakage current density is lower compared to Sr-rich STO which allow further equivalent oxide thickness downscaling. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Alkali metal and alkali metal hydroxide intercalates of the layered transition metal disulfides

    International Nuclear Information System (INIS)

    Kanzaki, Y.; Konuma, M.; Matsumoto, O.


    The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS 2 amd NbS 2 were superconductors. The expansion of the interlayer distance tended to increase the superconducting transition temperature in the intercalates of TaS 2 and vice versa in those of NbS 2 . (orig.)

  18. Can disorder drive a Mott insulator into a metal in 2D?

    International Nuclear Information System (INIS)

    Trivedi, Nandini; Heidarian, Dariush


    We find that isoelectronic disorder generates novel phases in a Mott insulator at half filling. For both binary disorder potentials and for random site disorder models, the Mott gap is destroyed locally generating puddles of gapless excitations. With increasing disorder, these puddles grow and rather surprising, form an inhomogeneous metal in 2D. Antiferromagnetic long range order is more robust than the Mott gap and persists into the metal, getting destroyed close to a critical disorder where doubly occupied and empty sites percolate. (author)

  19. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    International Nuclear Information System (INIS)

    Richard T. Scalettar; Warren E. Pickett


    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals

  20. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Scalettar, Richard T.; Pickett, Warren E.


    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals.

  1. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Richard T. Scalettar; Warren E. Pickett


    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (i) Mott transitions in transition metal oxides, (ii) magnetism in half-metallic compounds, and (iii) large volume-collapse transitions in f-band metals.

  2. Local Oxidation Nanolithography on Metallic Transition Metal Dichalcogenides Surfaces

    Directory of Open Access Journals (Sweden)

    Elena Pinilla-Cienfuegos


    Full Text Available The integration of atomically-thin layers of two dimensional (2D materials in nanodevices demands for precise techniques at the nanoscale permitting their local modification, structuration or resettlement. Here, we present the use of Local Oxidation Nanolithography (LON performed with an Atomic Force Microscope (AFM for the patterning of nanometric motifs on different metallic Transition Metal Dichalcogenides (TMDCs. We show the results of a systematic study of the parameters that affect the LON process as well as the use of two different modes of lithographic operation: dynamic and static. The application of this kind of lithography in different types of TMDCs demonstrates the versatility of the LON for the creation of accurate and reproducible nanopatterns in exfoliated 2D-crystals and reveals the influence of the chemical composition and crystalline structure of the systems on the morphology of the resultant oxide motifs.

  3. Computation of the Structure Factor of Some Transition Liquid Metals

    African Journals Online (AJOL)

    Applying the solution of the Percus-Yevic equation to a one component hard sphere system and using the recently developed potential for liquid transition liquid metals, the structure factor of transition liquid metals were computed. The peak height and peak position of the structure factor of the liquid metals were studied.

  4. Janus monolayers of transition metal dichalcogenides

    KAUST Repository

    Lu, Ang-Yu


    Structural symmetry-breaking plays a crucial role in determining the electronic band structures of two-dimensional materials. Tremendous efforts have been devoted to breaking the in-plane symmetry of graphene with electric fields on AB-stacked bilayers or stacked van der Waals heterostructures. In contrast, transition metal dichalcogenide monolayers are semiconductors with intrinsic in-plane asymmetry, leading to direct electronic bandgaps, distinctive optical properties and great potential in optoelectronics. Apart from their in-plane inversion asymmetry, an additional degree of freedom allowing spin manipulation can be induced by breaking the out-of-plane mirror symmetry with external electric fields or, as theoretically proposed, with an asymmetric out-of-plane structural configuration. Here, we report a synthetic strategy to grow Janus monolayers of transition metal dichalcogenides breaking the out-of-plane structural symmetry. In particular, based on a MoS2 monolayer, we fully replace the top-layer S with Se atoms. We confirm the Janus structure of MoSSe directly by means of scanning transmission electron microscopy and energy-dependent X-ray photoelectron spectroscopy, and prove the existence of vertical dipoles by second harmonic generation and piezoresponse force microscopy measurements.

  5. Study of concentrated metal-ammonia solutions: magnetic properties and non metal-metal transition

    International Nuclear Information System (INIS)

    Lelieur, Jean-Pierre


    The magnetic susceptibility of alkali metal-liquid ammonia solutions has been measured in the concentration range where the solutions show a progressive passage toward the metallic state. The Knight shift of the metal nuclei and the nitrogen nucleus have been determined as a function of concentration and temperature, in Na-NH 3 and Cs-NH 3 solutions. A phenomenological analysis of the transport properties of metal-ammonia solutions is also presented. This analysis permits the presentation of a model for the mechanism of the transition to the metallic state. (author) [fr

  6. Tunneling conductance oscillations in spin-orbit coupled metal-insulator-superconductor junctions (United States)

    Kapri, Priyadarshini; Basu, Saurabh


    The tunneling conductance for a device consisting of a metal-insulator-superconductor (MIS) junction is studied in presence of Rashba spin-orbit coupling (RSOC) via an extended Blonder-Tinkham-Klapwijk formalism. We find that the tunneling conductance as a function of an effective barrier potential that defines the insulating layer and lies intermediate to the metallic and superconducting electrodes, displays an oscillatory behavior. The tunneling conductance shows high sensitivity to the RSOC for certain ranges of this potential, while it is insensitive to the RSOC for others. Additionally, when the period of oscillations is an odd multiple of a certain value of the effective potential, the conductance spectrum as a function of the biasing energy demonstrates a contrasting trend with RSOC, compared to when it is not an odd multiple. The explanations for the observation can be found in terms of a competition between the normal and Andreev reflections. Similar oscillatory behavior of the conductance spectrum is also seen for other superconducting pairing symmetries, thereby emphasizing that the insulating layer plays a decisive role in the conductance oscillations of a MIS junction. For a tunable Rashba coupling, the current flowing through the junction can be controlled with precision.

  7. Investigation of electron beam lithography effects on metal–insulator transition behavior of vanadium dioxide (United States)

    Yuce, H.; Alaboz, H.; Demirhan, Y.; Ozdemir, M.; Ozyuzer, L.; Aygun, G.


    Vanadium dioxide (VO2) shows metal–insulator phase transition at nearly 68 °C. This metal–insulator transition (MIT) in VO2 leads to a significant change in near-infrared transmittance and an abrupt change in the resistivity of VO2. Due to these characteristics, VO2 plays an important role on optic and electronic devices, such as thermochromic windows, meta-materials with tunable frequency, uncooled bolometers and switching devices. In this work, VO2 thin films were fabricated by reactive direct current magnetron sputtering in O2/Ar atmosphere on sapphire substrates without any further post annealing processes. The effect of sputtering parameters on optical characteristics and structural properties of grown thin films was investigated by SEM, XRD, Raman and UV/VIS spectrophotometer measurements. Patterning process of VO2 thin films was realized by e-beam lithography technique to monitor the temperature dependent electrical characterization. Electrical properties of VO2 samples were characterized using microprobe station in a vacuum system. MIT with hysteresis behavior was observed for the unpatterned square samples at around 68 °C. By four orders of magnitude of resistivity change was measured for the deposited VO2 thin films at transition temperature. After e-beam lithography process, substantial results in patterned VO2 thin films were observed. In this stage, for patterned VO2 thin films as stripes, the change in resistivity of VO2 was reduced by a factor of 10. As a consequence of electrical resistivity measurements, MIT temperature was shifted from 68 °C to 50 °C. The influence of e-beam process on the properties of VO2 thin films and the mechanism of the effects are discussed. The presented results contribute to the achievement of VO2 based thermochromic windows and bolometer applications.

  8. Fluorescence signalling of the transition metal ions: Design strategy ...

    Indian Academy of Sciences (India)

    on fluorescence signalling systems for the transition metal ions. It is shown that even simple fluorophore-spacer-receptor systems can display excellent off-on fluorescence signalling towards the quenching metal ions when the fluorophore ...

  9. Floquet topological phase transitions in a kicked Haldane-Chern insulator (United States)

    Mishra, Tridev; Pallaprolu, Anurag; Guha Sarkar, Tapomoy; Bandyopadhyay, Jayendra N.


    We consider a periodically δ -kicked Haldane type Chern insulator with the kicking applied in the z ̂ direction. This is known to behave as an inversion symmetry breaking perturbation, since it introduces a time-dependent staggered sublattice potential. We study here the effects of such driving on the topological phase diagram of the original Haldane model of a Hall effect in the absence of a net magnetic field. The resultant Floquet band topology is again that of a Chern insulator with the driving parameters—frequency and amplitude— influencing the inversion breaking mass M of the undriven Haldane model. A family of such periodically related "Semenoff masses" is observed to occur, which support a periodic repetition of Haldane like phase diagrams along the inversion breaking axis of the phase plots. Out of these it is possible to identify two in-equivalent masses in the reduced zone scheme of the Floquet quasienergies, which form the centers of two inequivalent phase diagrams. Further, variation in the driving amplitude's magnitude alone is shown to effect the topological properties by linearly shifting the phase diagram of the driven model about the position of the undriven case, a phenomenon that allows the study of Floquet topological phase transitions in the system. Finally, we also discuss some issues regarding the modifications to Haldane's condition for preventing band overlaps at the Dirac point touchings in the Brillouin zone, in the presence of kicking.

  10. Neutron irradiation damage in transition metal carbides

    International Nuclear Information System (INIS)

    Matsui, Hisayuki; Nesaki, Kouji; Kiritani, Michio


    Effects of neutron irradiation on the physical properties of light transition metal carbides, TiC x , VC x and NbC x , were examined, emphasizing the characterization of irradiation induced defects in the nonstoichiometric composition. TiC x irradiated with 14 MeV (fusion) neutrons showed higher damage rates with increasing C/Ti (x) ratio. A brief discussion is made on 'cascade damage' in TiC x irradiated with fusion neutrons. Two other carbides (VC x and NbC x ) were irradiated with fission reactor neutrons. The irradiation effects on VC x were not so simple, because of the complex irradiation behavior of 'ordered' phases. For instance, complete disordering was revealed in an ordered phase, 'V 8 C 7 ', after an irradiation dose of 10 25 n/m 2 . (orig.)

  11. Dark excitations in monolayer transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Deilmann, Thorsten; Thygesen, Kristian Sommer


    Monolayers of transition metal dichalcogenides (TMDCs) possess unique optoelectronic properties, including strongly bound excitons and trions. To date, most studies have focused on optically active excitations, but recent experiments have highlighted the existence of dark states, which are equally...... important in many respects. Here, we use ab initio many-body calculations to unravel the nature of the dark excitations in monolayer MoSe2, MoS2, WSe2, andWS(2). Our results show that all these monolayer TMDCs host dark states as their lowest neutral and charged excitations. We further show that dark...... excitons possess larger binding energies than their bright counterparts while the opposite holds for trions....

  12. Spin Andreev-like reflection in metal-Mott insulator heterostructures. (United States)

    Al-Hassanieh, K A; Rincón, Julián; Alvarez, G; Dagotto, E


    Using the time-dependent density-matrix renormalization group (tDMRG), we study the time evolution of electron wave packets in one-dimensional (1D) metal-superconductor heterostructures. The results show Andreev reflection at the interface, as expected. By combining these results with the well-known single-spin-species electron-hole transformation in the Hubbard model, we predict an analogous spin Andreev reflection in metal-Mott insulator heterostructures. This effect is numerically confirmed using 1D tDMRG, but it is expected to also be present in higher dimensions, as well as in more general Hamiltonians. We present an intuitive picture of the spin reflection, analogous to that of Andreev reflection at metal-superconductor interfaces. This allows us to discuss a novel antiferromagnetic proximity effect. Possible experimental realizations are discussed.

  13. Hydrogen interaction with GaN metal-insulator-semiconductor diodes

    International Nuclear Information System (INIS)

    Irokawa, Y.


    Interaction mechanism of hydrogen with GaN metal-insulator-semiconductor (MIS) diodes is investigated, focusing on the metal/semiconductor interfaces. For MIS Pt-GaN diodes with a SiO 2 dielectric, the current-voltage (I-V) characteristics reveal that hydrogen changes the conduction mechanisms from Fowler-Nordheim tunneling to Poole-Frenkel emission. In sharp contrast, Pt-Si x N y -GaN diodes exhibit Poole-Frenkel emission in nitrogen and do not show any change in the conduction mechanism upon exposure to hydrogen. The capacitance-voltage (C-V) study suggests that the work function change of the Schottky metal is not responsible mechanism for the hydrogen sensitivity.

  14. Dark excitons in transition metal dichalcogenides (United States)

    Malic, Ermin; Selig, Malte; Feierabend, Maja; Brem, Samuel; Christiansen, Dominik; Wendler, Florian; Knorr, Andreas; Berghäuser, Gunnar


    Monolayer transition metal dichalcogenides (TMDs) exhibit a remarkably strong Coulomb interaction that manifests in tightly bound excitons. Due to the complex electronic band structure exhibiting several spin-split valleys in the conduction and valence band, dark excitonic states can be formed. They are inaccessibly by light due to the required spin-flip and/or momentum transfer. The relative position of these dark states with respect to the optically accessible bright excitons has a crucial impact on the emission efficiency of these materials and thus on their technological potential. Based on the solution of the Wannier equation, we present the excitonic landscape of the most studied TMD materials including the spectral position of momentum- and spin-forbidden excitonic states. We show that the knowledge of the electronic dispersion does not allow to conclude about the nature of the material's band gap since excitonic effects can give rise to significant changes. Furthermore, we reveal that an exponentially reduced photoluminescence yield does not necessarily reflect a transition from a direct to a nondirect gap material, but can be ascribed in most cases to a change of the relative spectral distance between bright and dark excitonic states.

  15. Nanoscale semiconductor-insulator-metal core/shell heterostructures: facile synthesis and light emission. (United States)

    Li, Gong Ping; Chen, Rui; Guo, Dong Lai; Wong, Lai Mun; Wang, Shi Jie; Sun, Han Dong; Wu, Tom


    Controllably constructing hierarchical nanostructures with distinct components and designed architectures is an important theme of research in nanoscience, entailing novel but reliable approaches of bottom-up synthesis. Here, we report a facile method to reproducibly create semiconductor-insulator-metal core/shell nanostructures, which involves first coating uniform MgO shells onto metal oxide nanostructures in solution and then decorating them with Au nanoparticles. The semiconductor nanowire core can be almost any material and, herein, ZnO, SnO(2) and In(2)O(3) are used as examples. We also show that linear chains of short ZnO nanorods embedded in MgO nanotubes and porous MgO nanotubes can be obtained by taking advantage of the reduced thermal stability of the ZnO core. Furthermore, after MgO shell-coating and the appropriate annealing treatment, the intensity of the ZnO near-band-edge UV emission becomes much stronger, showing a 25-fold enhancement. The intensity ratio of the UV/visible emission can be increased further by decorating the surface of the ZnO/MgO nanowires with high-density plasmonic Au nanoparticles. These heterostructured semiconductor-insulator-metal nanowires with tailored morphologies and enhanced functionalities have great potential for use as nanoscale building blocks in photonic and electronic applications. This journal is © The Royal Society of Chemistry 2011

  16. Liquid metal flows in insulating elements of self-cooled blankets

    International Nuclear Information System (INIS)

    Molokov, S.


    Liquid metal flows in insulating rectangular ducts in strong magnetic fields are considered with reference to poloidal concepts of self-cooled blankets. Although the major part of the flow in poloidal blanket concepts is close to being fully developed, manifolds, expansions, contractions, elbows, etc., which are necessary elements in blanket designs, cause three-dimensional effects. The present investigation demonstrates the flow pattern in basic insulating geometries for actual and more advanced liquid metal blanket concepts and discusses the ways to avoid pressure losses caused by flow redistribution. Flows in several geometries, such as symmetric and non-symmetric 180 turns with and without manifolds, sharp and linear expansions with and without manifolds, etc., have been considered. They demonstrate the attractiveness of poloidal concepts of liquid metal blankets, since they guarantee uniform conditions for heat transfer. If changes in the duct cross-section occur in the plane perpendicular to the magnetic field (ideally a coolant should always flow in the radial-poloidal plane), the disturbances are local and the slug velocity profile is reached roughly at a distance equivalent to one duct width from the manifolds, expansions, etc. The effects of inertia in these flows are unimportant for the determination of the pressure drop and velocity profiles in the core of the flow but may favour heat transfer characteristics via instabilities and strongly anisotropic turbulence. (orig.)

  17. Single electron transistors with hydrogen treatment of ALD SiO2 in nanoscale metal-insulator-metal tunnel junctions (United States)

    Karbasian, Golnaz; McConnell, Michael S.; Orlov, Alexei O.; Nazarov, Alexei N.; Snider, Gregory L.


    Over the past five years, fabrication of metal-insulator-metal (MIM) single electron transistors (SET) featuring atomic layer deposition (ALD) of ultrathin tunnel barrier dielectrics (SiO2, Al2O3) has been reported. However, the performance of fabricated devices was significantly compromised by the presence of native metal oxide and problems associated with the nucleation of ALD dielectrics on metal substrates. To overcome the difficulty of dielectric ALD nucleation on metal substrates, we recently developed a fabrication technique in which the native metal oxide naturally forming in the presence of the ALD oxidant precursor is first used to promote the nucleation of ALD dielectrics, and then is chemically reduced by forming gas anneal (FGA) at temperatures near 400 °C. However, despite the elimination of native oxide, low temperature characterization of the devices fabricated using FGA reveals excess ‘switching’ noise of a very large magnitude resulting from charged defects within the junctions. It has been previously reported that remote hydrogen plasma (RHP) treatment of SiO2 thin films effectively eradicates fabrication defects. This work reports a comparative study of Ni-based MIM SET treated with FGA and/or RHP. We show that, using a combination of FGA and RHP treatments, it is possible to obtain MIM junctions free of switching noise and without a detectable contribution of native oxide.

  18. Mesoporous diphosphine-transition metal complex catalyst for hydroformylation

    NARCIS (Netherlands)

    Reek, J.N.H.; Coppens, M.O.


    The invention pertains to a diphosphine-transition metal complex comprising a diphosphine-transition metal ligand that is covalently bonded to an insoluble mesoporous support having an average pore diameter of from 4.5 nm to 50 nm, characterized in that the ligand as attached to the support has the

  19. Surface segregation energies in transition-metal alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet


    We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...

  20. Nanostructured transition metal oxides useful for water oxidation catalysis (United States)

    Frei, Heinz M; Jiao, Feng


    The present invention provides for a composition comprising a nanostructured transition metal oxide capable of oxidizing two H.sub.2O molecules to obtain four protons. In some embodiments of the invention, the composition further comprises a porous matrix wherein the nanocluster of the transition metal oxide is embedded on and/or in the porous matrix.

  1. Vibrational properties of vacancy in bcc transition metals using ...

    Indian Academy of Sciences (India)

    By introducing a few modifications in the Johnson and. Oh model, Guellil and Adams [5] have applied the EAM model for studying phonon dis- persion, thermal and surface properties of alkali and transition metals and their alloys. An empirical many-body interaction potential for the bcc transition metals Nb, Fe and Cr was.

  2. Fluorescence signalling of the transition metal ions: Design strategy ...

    Indian Academy of Sciences (India)


    Abstract. Transition metal ions are notorious for their fluorescence quenching abilities. In this paper, we discuss the design strategies for the development of efficient off-on fluorescence signalling systems for the transition metal ions. It is shown that even simple fluorophore-spacer-receptor systems can display excellent.

  3. Ultra high vacuum fabrication of metallic contacts for molecular devices on an insulating surface (United States)

    Fostner, Shawn

    The preparation and characterization of metallic wires on insulating substrates by a variety of mechanisms has been explored. A multi-scale approach utilizing microfabricated silicon stencil masks, feedback controlled electromigration, and field induced metal cluster deposition in a novel geometry has been explored on potassium bromide (KBr), indium phosphide (InP), and silicon oxide substrates in an ultra-high vacuum environment (UHV). The initial deposition of gold, and tantalum wires between one hundred nanometers and micrometers in size was performed using reinforced silicon nanostencils. The stencil fabrication was discussed, and an examination of the deformation of the integrated structures under the deposition of highly stressed tantalum films was shown to be significantly smaller than typical structures. Metallic wires deposited using these stencils as well as electron beam lithography were electrically stressed and the breaking characteristics analyzed. Typical nanometer scale gaps were observed, as well as larger features more commonly found in the breaking of bamboo-like structures in gold wires 100 nm in size or less, particularly with a significant series resistance. These larger gaps are expected to be more applicable for the deposition of subsequent metallic clusters and preparation of molecular devices. As a step towards connecting the initially deposited wires as well as localized molecules in an a fashion allowing atomic scale imaging by AFM, modelling and experiments of field induced deposition of gold clusters on KBr and InP substrates was carried out. Deposition on InP substrates with a backside 2D electron gas as a counter-electrode demonstrated the feability of this deposition technique in UHV. Subsequent depositions on or adjacent to metallic pads on the bulk insulating KBr provided a proof of principle of the technique, though some experimental limitations such as large current pulses with the tip in close proximity to the surface are

  4. Modeling Dzyaloshinskii-Moriya Interaction at Transition Metal Interfaces: Constrained Moment versus Generalized Bloch Theorem

    KAUST Repository

    Dong, Yao-Jun


    Dzyaloshinskii-Moriya interaction (DMI) at Pt/Co interfaces is investigated theoretically using two different first principles methods. The first one uses the constrained moment method to build a spin spiral in real space, while the second method uses the generalized Bloch theorem approach to construct a spin spiral in reciprocal space. We show that although the two methods produce an overall similar total DMI energy, the dependence of DMI as a function of the spin spiral wavelength is dramatically different. We suggest that long-range magnetic interactions, that determine itinerant magnetism in transition metals, are responsible for this discrepancy. We conclude that the generalized Bloch theorem approach is more adapted to model DMI in transition metal systems, where magnetism is delocalized, while the constrained moment approach is mostly applicable to weak or insulating magnets, where magnetism is localized.

  5. Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4 (United States)

    Qi, Yanpeng; Shi, Wujun; Werner, Peter; Naumov, Pavel G.; Schnelle, Walter; Wang, Lei; Rana, Kumari Gaurav; Parkin, Stuart; Medvedev, Sergiy A.; Yan, Binghai; Felser, Claudia


    Superconductivity and topological quantum states are two frontier fields of research in modern condensed matter physics. The realization of superconductivity in topological materials is highly desired; however, superconductivity in such materials is typically limited to two-dimensional or three-dimensional materials and is far from being thoroughly investigated. In this work, we boost the electronic properties of the quasi-one-dimensional topological insulator bismuth iodide β-Bi4I4 by applying high pressure. Superconductivity is observed in β-Bi4I4 for pressures, where the temperature dependence of the resistivity changes from a semiconducting-like behavior to that of a normal metal. The superconducting transition temperature Tc increases with applied pressure and reaches a maximum value of 6 K at 23 GPa, followed by a slow decrease. Our theoretical calculations suggest the presence of multiple pressure-induced topological quantum phase transitions as well as a structural-electronic instability.

  6. LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Dynamics of a plasma formed by exploding metal wires and insulator fibres (United States)

    Bartnik, A.; Ivanenkov, G. V.; Karpinski, L.; Mingaleev, A. R.; Pikuz, S. A.; Romanova, V. M.; Stepniewski, W.; Shelkovenko, T. A.; Jach, K.


    High-current nanosecond discharges through metal wires and insulator fibres were investigated in the NIKE-3 (100 kA, 50 ns) and BIN (250 kA, 100 ns) facilities. Glass fibres were used as an example in a study of the dependence of the discharge conditions on the linear density μ of the load. An increase in μ altered the nature of the discharge through the diode from a mismatched regime accompanied by generation of an electron beam (μ hot spots' (μ = 8-20 μg cm-1) and then to a regime of a luminous skin layer ( μ > 30 μg cm-1). A strong influence of the state of the surface on the nature of an explosion of a metal wire was observed. The experimental results obtained at the beginning of wire explosions were accounted for by a model of the metal—plasma transition. The plasma motion and the development of instabilities of a plasma filament during a discharge were investigated by optical methods. Some of the experiments indicated simultaneous development of helical and 'sausage' instabilities. A two-dimensional ideal magnetohydrodynamic model was employed in calculations dealing with the process of formation of a constriction (pinching) and the results were in good agreement with the observations.

  7. Metallacyclopentadienes: structural features and coordination in transition metal complexes

    International Nuclear Information System (INIS)

    Dolgushin, Fedor M; Yanovsky, Aleksandr I; Antipin, Mikhail Yu


    Results of structural studies of polynuclear transition metal complexes containing the metallacyclopentadiene fragment are overviewed. The structural features of the complexes in relation to the nature of the substituents in the organic moiety of the metallacycles, the nature of the transition metals and their ligand environment are analysed. The main structural characteristics corresponding to different modes of coordination of metallacyclopentadienes to one or two additional metal centres are revealed.

  8. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates

    KAUST Repository

    Park, Soohyung


    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron–hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  9. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates (United States)

    Park, Soohyung; Mutz, Niklas; Schultz, Thorsten; Blumstengel, Sylke; Han, Ali; Aljarb, Areej; Li, Lain-Jong; List-Kratochvil, Emil J. W.; Amsalem, Patrick; Koch, Norbert


    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron-hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  10. Stable carbides in transition metal alloys

    International Nuclear Information System (INIS)

    Piotrkowski, R.


    In the present work different techniques were employed for the identification of stable carbides in two sets of transition metal alloys of wide technological application: a set of three high alloy M2 type steels in which W and/or Mo were total or partially replaced by Nb, and a Zr-2.5 Nb alloy. The M2 steel is a high speed steel worldwide used and the Zr-2.5 Nb alloy is the base material for the pressure tubes in the CANDU type nuclear reactors. The stability of carbide was studied in the frame of Goldschmidt's theory of interstitial alloys. The identification of stable carbides in steels was performed by determining their metallic composition with an energy analyzer attached to the scanning electron microscope (SEM). By these means typical carbides of the M2 steel, MC and M 6 C, were found. Moreover, the spatial and size distribution of carbide particles were determined after different heat treatments, and both microstructure and microhardness were correlated with the appearance of the secondary hardening phenomenon. In the Zr-Nb alloy a study of the α and β phases present after different heat treatments was performed with optical and SEM metallographic techniques, with the guide of Abriata and Bolcich phase diagram. The α-β interphase boundaries were characterized as short circuits for diffusion with radiotracer techniques and applying Fisher-Bondy-Martin model. The precipitation of carbides was promoted by heat treatments that produced first the C diffusion into the samples at high temperatures (β phase), and then the precipitation of carbide particles at lower temperature (α phase or (α+β)) two phase field. The precipitated carbides were identified as (Zr, Nb)C 1-x with SEM, electron microprobe and X-ray diffraction techniques. (Author) [es

  11. Nonmonotonic anisotropy in charge conduction induced by antiferrodistortive transition in metallic SrTiO3 (United States)

    Tao, Qian; Loret, Bastien; Xu, Bin; Yang, Xiaojun; Rischau, Carl Willem; Lin, Xiao; Fauqué, Benoît; Verstraete, Matthieu J.; Behnia, Kamran


    Cubic SrTiO3 becomes tetragonal below 105 K. The antiferrodistortive (AFD) distortion leads to clockwise and counterclockwise rotation of adjacent TiO6 octahedra. This insulator becomes a metal upon the introduction of extremely low concentration of n -type dopants. However, signatures of the structural phase transition in charge conduction have remained elusive. Employing the Montgomery technique, we succeed in resolving the anisotropy of charge conductivity induced by the AFD transition, in the presence of different types of dopants. We find that the slight lattice distortion (liquids, the anisotropy has opposite signs for elastic and inelastic scattering. Increasing the concentration of dopants leads to a drastic shift in the temperature of the AFD transition either upward or downward. The latter result puts strong constraints on any hypothetical role played by the AFD soft mode in the formation of Cooper pairs and the emergence of superconductivity in SrTiO3.

  12. Computational study of 5d transition metal mononitrides and ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 33; Issue 3. Computational study of 5 transition metal mononitrides and monoborides using ... affinity and ionization potential is wider for mononitrides than that for monoborides. The properties of 5-metal mononitrides and 3-metal mononitrides are also compared.

  13. Strain-induced metal-insulator phase coexistence in perovskite manganites. (United States)

    Ahn, K H; Lookman, T; Bishop, A R


    The coexistence of distinct metallic and insulating electronic phases within the same sample of a perovskite manganite, such as La(1-x-y)Pr(y)Ca(x)MnO3, presents researchers with a tool for tuning the electronic properties in materials. In particular, colossal magnetoresistance in these materials--the dramatic reduction of resistivity in a magnetic field--is closely related to the observed texture owing to nanometre- and micrometre-scale inhomogeneities. Despite accumulated data from various high-resolution probes, a theoretical understanding for the existence of such inhomogeneities has been lacking. Mechanisms invoked so far, usually based on electronic mechanisms and chemical disorder, have been inadequate to describe the multiscale, multiphase coexistence within a unified picture. Moreover, lattice distortions and long-range strains are known to be important in the manganites. Here we show that the texturing can be due to the intrinsic complexity of a system with strong coupling between the electronic and elastic degrees of freedom. This leads to local energetically favourable configurations and provides a natural mechanism for the self-organized inhomogeneities over both nanometre and micrometre scales. The framework provides a physical understanding of various experimental results and a basis for engineering nanoscale patterns of metallic and insulating phases.

  14. Spin transfer and spin pumping in disordered normal metal-antiferromagnetic insulator systems (United States)

    Gulbrandsen, Sverre A.; Brataas, Arne


    We consider an antiferromagnetic insulator that is in contact with a metal. Spin accumulation in the metal can induce spin-transfer torques on the staggered field and on the magnetization in the antiferromagnet. These torques relate to spin pumping: the emission of spin currents into the metal by a precessing antiferromagnet. We investigate how the various components of the spin-transfer torque are affected by spin-independent disorder and spin-flip scattering in the metal. Spin-conserving disorder reduces the coupling between the spins in the antiferromagnet and the itinerant spins in the metal in a manner similar to Ohm's law. Spin-flip scattering leads to spin-memory loss with a reduced spin-transfer torque. We discuss the concept of a staggered spin current and argue that it is not a conserved quantity. Away from the interface, the staggered spin current varies around a 0 mean in an irregular manner. A network model explains the rapid decay of the staggered spin current.

  15. The Recovery of the Metal Insulation Cable in the Instrumentation of Nuclear Fuel Rod

    Energy Technology Data Exchange (ETDEWEB)

    Joung, Chang Young; Ahn, Sung Ho; Sim, Bong Sik; Lee, Chul Yong [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)


    Mineral-insulated (MI) cables are widely used to prolong the instrumentation cable of instruments such as a thermocouple (TC), linear variable differential transformer (LVDT) and self-powered neutron detector (SPND), which are used to measure various irradiation characteristics of nuclear fuels and materials. MI cables are expected to be helpful for instrumentation of nuclear fuel and material irradiation because of their high electrical insulation, heat resistance and mechanical strength. The MI cable used to extend thermocouple wires is classified as the following: 1) For common metal types of thermocouples, the thermocouple extension wire is of substantially the same composition as the corresponding thermocouple type and it can offer advantages in cost or mechanical properties when used for the connection between a thermocouple and instruments. 2) For noble metal types of thermocouples, the thermocouple compensation wire is an entirely different alloy formulated to match the noble metal characteristics, which is necessary due to the high cost of noble metals. During the installation of an instrument, an MI cable damaged by impact must be recovered because it is difficult to change the entire thermocouple. And for MI cable recovery, it is necessary to develop the instrumentation technology of FTL. This paper described the experimental results of MI cable recovery, which consists of a removal test of the MI cable sheath and a joining test of the compensation of the wire and MI cable/ wire/compensation wire and sheath of MI cable/bushing, for carrying out irradiation tests of nuclear fuel and materials in the FTL facility of HANARO

  16. Electronic self-organization in layered transition metal dichalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Ritschel, Tobias


    The interplay between different self-organized electronically ordered states and their relation to unconventional electronic properties like superconductivity constitutes one of the most exciting challenges of modern condensed matter physics. In the present thesis this issue is thoroughly investigated for the prototypical layered material 1T-TaS{sub 2} both experimentally and theoretically. At first the static charge density wave order in 1T-TaS{sub 2} is investigated as a function of pressure and temperature by means of X-ray diffraction. These data indeed reveal that the superconductivity in this material coexists with an inhomogeneous charge density wave on a macroscopic scale in real space. This result is fundamentally different from a previously proposed separation of superconducting and insulating regions in real space. Furthermore, the X-ray diffraction data uncover the important role of interlayer correlations in 1T-TaS{sub 2}. Based on the detailed insights into the charge density wave structure obtained by the X-ray diffraction experiments, density functional theory models are deduced in order to describe the electronic structure of 1T-TaS{sub 2} in the second part of this thesis. As opposed to most previous studies, these calculations take the three-dimensional character of the charge density wave into account. Indeed the electronic structure calculations uncover complex orbital textures, which are interwoven with the charge density wave order and cause dramatic differences in the electronic structure depending on the alignment of the orbitals between neighboring layers. Furthermore, it is demonstrated that these orbital-mediated effects provide a route to drive semiconductor-to-metal transitions with technologically pertinent gaps and on ultrafast timescales. These results are particularly relevant for the ongoing development of novel, miniaturized and ultrafast devices based on layered transition metal dichalcogenides. The discovery of orbital textures

  17. Nucleic acid-functionalized transition metal nanosheets for biosensing applications. (United States)

    Mo, Liuting; Li, Juan; Liu, Qiaoling; Qiu, Liping; Tan, Weihong


    In clinical diagnostics, as well as food and environmental safety practices, biosensors are powerful tools for monitoring biological or biochemical processes. Two-dimensional (2D) transition metal nanomaterials, including transition metal chalcogenides (TMCs) and transition metal oxides (TMOs), are receiving growing interest for their use in biosensing applications based on such unique properties as high surface area and fluorescence quenching abilities. Meanwhile, nucleic acid probes based on Watson-Crick base-pairing rules are also being widely applied in biosensing based on their excellent recognition capability. In particular, the emergence of functional nucleic acids in the 1980s, especially aptamers, has substantially extended the recognition capability of nucleic acids to various targets, ranging from small organic molecules and metal ions to proteins and cells. Based on π-π stacking interaction between transition metal nanosheets and nucleic acids, biosensing systems can be easily assembled. Therefore, the combination of 2D transition metal nanomaterials and nucleic acids brings intriguing opportunities in bioanalysis and biomedicine. In this review, we summarize recent advances of nucleic acid-functionalized transition metal nanosheets in biosensing applications. The structure and properties of 2D transition metal nanomaterials are first discussed, emphasizing the interaction between transition metal nanosheets and nucleic acids. Then, the applications of nucleic acid-functionalized transition metal nanosheet-based biosensors are discussed in the context of different signal transducing mechanisms, including optical and electrochemical approaches. Finally, we provide our perspectives on the current challenges and opportunities in this promising field. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Electronic specific heat of transition metal carbides

    International Nuclear Information System (INIS)

    Conte, R.


    The experimental results that make it possible to define the band structure of transition metal carbides having an NaCI structure are still very few. We have measured the electronic specific heat of some of these carbides of varying electronic concentration (TiC, either stoichiometric or non-stoichiometric, TaC and mixed (Ti, Ta) - C). We give the main characteristics (metallography, resistivity, X-rays) of our samples and we describe the low temperature specific heat apparatus which has been built. In one of these we use helium as the exchange gas. The other is set up with a mechanical contact. The two use a germanium probe for thermometer. The measurement of the temperature using this probe is described, as well as the various measurement devices. The results are presented in the form of a rigid band model and show that the density of the states at the Fermi level has a minimum in the neighbourhood of the group IV carbides. (author) [fr

  19. Photocatalysis of Modified Transition Metal Oxide Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Batzill, Matthias


    The goal of this project has been to establish a cause-effect relationship for photocatalytic activity variations of different structures of the same material; and furthermore gain fundamental understanding on modification of photocatalysts by compositional or surface modifications. The reasoning is that gaining atomic scale understanding of how surface and bulk modifications alter the photo reactivity will lead to design principles for next generation photocatalysts. As a prototypical photocatalyst the research focused on TiO2 synthesized in well-defined single crystalline form to enable fundamental characterizations.We have obtained results in the following areas: (a) Preparation of epitaxial anataseTiO2 samples by pulsed laser deposition. (b) Comparison of hydrogen diffusion on different crystallographic surface. (c) Determining the stability of the TiO2(011)-2x1 reconstruction upon interactions with adsorbates. (d) Characterization of adsorption and (thermal and photo) reaction of molecules with nitro-endgroups, (e) Exploring the possibility of modifying planar model photocatalyst surfaces with graphene to enable fundamental studies on reported enhanced photocatalytic activities of graphene modified transition metal oxides, (f) gained fundamental understanding on the role of crystallographic polymorphs of the same material for their photocatalytic activities.

  20. Preparation and characterization of several transition metal oxides

    International Nuclear Information System (INIS)

    Wold, A.; Dwight, K.


    The structure-property relationships of several conducting transition metal oxides, as well as their preparative methods, are presented in this paper. The importance of preparing homogeneous phases with precisely known stoichiometry is emphasized. A comparison is also made of the various techniques used to prepare both polycrystalline and single crystal samples. For transition metal oxides, the metallic properties are discussed either in terms of metal-metal distances which are short enough to result in metallic behavior, or in terms of the formation of a π* conduction band resulting from covalent metal-oxygen interactions. Metallic behavior is observed when the conduction bands are populated with either electrons or holes. The concentration of these carriers can be affected by either cation or anion substitutions. The discussion in this presentation will be limited to the elements Re, Ti, V, Cr, Mo, and Cu

  1. Thermal insulator

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, R.; Asada, Y.; Matsuo, Y.; Mikoda, M.


    A thermal insulator comprises an expanded resin body having embedded therein an evacuated powder insulation portion which consists of fine powder and a container of film-like plastics or a film-like composite of plastics and metal for enclosing the powder. The resin body has been expanded by a Freon gas as a blowing agent. Since a Freon gas has a larger molecular diameter than the constituent gases of air, it is less likely to permeate through the container than air. Thus present invention provides a novel composite insulator which fully utilizes the benefits of vacuum insulation without necessitating a strong and costly material for a vacuum container.

  2. Insulator-superconductor transition in bi-layers of Co clusters and Bi (United States)

    Dinóla, I. S.; Herrera, W. T.; Continentino, M. A.; Micklitz, H.; Baggio-Saitovitch, E.; Xing, Y. T.


    We have performed electrical resistance measurements on films of pure Bi and hybrid films of Co/Bi consisting of Co nanoclusters having a mean size of ˜4.5 nm covered by Bi. Films were produced by deposition of Bi on top of a layer of well-defined Co clusters onto sapphire substrates kept at low temperatures. As-deposited Co-clusters/Bi films reveal a superconducting-like transition close to T c of amorphous Bi, however, with variable range hopping behavior below T c, i.e., with a diverging resistance for T → 0. Upon annealing at low temperature, a superconducting state with zero resistance for T → 0 is found. Finally, annealing at higher temperature leads to non-superconducting crystalline Bi showing weak-localization behavior typical for a disordered semimetal (or metal). For some films, we find a superconducting transition occurring in two steps, the reason for this is not quite clear.

  3. Tethered Transition Metals Promoted Photocatalytic System for Efficient Hydrogen Evolutions

    KAUST Repository

    Takanabe, Kazuhiro


    The present invention is directed, at least in part, to a process for improving the efficiency of a photocatalyst (a semiconductor photocatalyst) by tethering (depositing) a metal (e.g., metal ions of a late transition metal, such as nickel) to the semiconductor (photocatalyst) surface through the use of an organic ligand. More specifically, 1,2-ethanedithiol (EDT) functions as an excellent molecular linker (organic ligand) to attach a transition metal complex (e.g., nickel (Ni.sup.2+ ions)) to the semiconductor surface, which can be in the form of a cadmium sulfide surface. The photocatalyst has particular utility in generating hydrogen from H.sub.2S.

  4. Electronic structure of disordered transition metals within scattering theory

    International Nuclear Information System (INIS)

    Yakyibchuk, P.M.; Volkov, O.V.; Vakarchuk, S.O.


    Here we present a new approach to the calculation of density of states of disordered transition metals based on the T-matrix framework presented by Lloyd within generalized Ziman's theory of transport properties and energy structure of disordered metals. This approach makes it possible to avoid such difficulties of familiar calculations as renormalized perturbation theory. We have achieved double hill energy resonance for transition metals at Fe and Co groups caused by hybridization potential. So the results are in good correlation with model presentation of energy structure of these metals conduction band for explaining magnetic and transport properties

  5. Converged G W quasiparticle energies for transition metal oxide perovskites (United States)

    Ergönenc, Zeynep; Kim, Bongjae; Liu, Peitao; Kresse, Georg; Franchini, Cesare


    The ab initio calculation of quasiparticle (QP) energies is a technically and computationally challenging problem. In condensed matter physics, the most widely used approach to determine QP energies is the G W approximation. Although the G W method has been widely applied to many typical semiconductors and insulators, its application to more complex compounds such as transition metal oxide perovskites has been comparatively rare, and its proper use is not well established from a technical point of view. In this work, we have applied the single-shot G0W0 method to a representative set of transition metal oxide perovskites including 3 d (SrTiO3, LaScO3, SrMnO3, LaTiO3, LaVO3, LaCrO3, LaMnO3, and LaFeO3), 4 d (SrZrO3, SrTcO3, and Ca2RuO4 ), and 5 d (SrHfO3, KTaO3, and NaOsO3) compounds with different electronic configurations, magnetic orderings, structural characteristics, and band gaps ranging from 0.1 to 6.1 eV. We discuss the proper procedure to obtain well-converged QP energies and accurate band gaps within single-shot G0W0 by comparing the conventional approach based on an incremental variation of a specific set of parameters (number of bands, energy cutoff for the plane-wave expansion and number of k points) and the basis-set extrapolation scheme [J. Klimeš et al., Phys. Rev. B 90, 075125 (2014), 10.1103/PhysRevB.90.075125]. Although the conventional scheme is not supported by a formal proof of convergence, for most cases it delivers QP energies in reasonably good agreement with those obtained by the basis-set correction procedure and it is by construction more useful for calculating band structures. In addition, we have inspected the difference between the adoption of norm-conserving and ultrasoft potentials in G W calculations and found that the norm violation for the d shell can lead to less accurate results in particular for charge-transfer systems and late transition metals. A minimal statistical analysis indicates that the correlation of the G W data


    African Journals Online (AJOL)


    The metal complexes separated out were filtered through the sintered glass crucible ... All the metal complexes (Table 2) are colored, stable to air at room temperature ... Table 2. Physical characteristics and conductivity data of metal complexes and ligands. Ligand/complex. Color. Melting/decomposition temperature, 0C.

  7. Fine structure of metal–insulator transition in EuO resolved by doping engineering (United States)

    Averyanov, Dmitry V.; Parfenov, Oleg E.; Tokmachev, Andrey M.; Karateev, Igor A.; Kondratev, Oleg A.; Taldenkov, Alexander N.; Platunov, Mikhail S.; Wilhelm, Fabrice; Rogalev, Andrei; Storchak, Vyacheslav G.


    Metal–insulator transitions (MITs) offer new functionalities for nanoelectronics. However, ongoing attempts to control the resistivity by external stimuli are hindered by strong coupling of spin, charge, orbital and lattice degrees of freedom. This difficulty presents a quest for materials which exhibit MIT caused by a single degree of freedom. In the archetypal ferromagnetic semiconductor EuO, magnetic orders dominate the MIT. Here we report a new approach to take doping under control in this material on the nanoscale: formation of oxygen vacancies is strongly suppressed to exhibit the highest MIT resistivity jump and magnetoresistance among thin films. The nature of the MIT is revealed in Gd doped films. The critical doping is determined to be more than an order of magnitude lower than in all previous studies. In lightly doped films, a remarkable thermal hysteresis in resistivity is discovered. It extends over 100 K in the paramagnetic phase reaching 3 orders of magnitude. In the warming mode, the MIT is shown to be a two-step process. The resistivity patterns are consistent with an active role of magnetic polarons—formation of a narrow band and its thermal destruction. High-temperature magnetic polaron effects include large negative magnetoresistance and ferromagnetic droplets revealed by x-ray magnetic circular dichroism. Our findings have wide-range implications for the understanding of strongly correlated oxides and establish fundamental benchmarks to guide theoretical models of the MIT.

  8. Capacitance-voltage characteristics of metal-insulator-semiconductor structures based on graded-gap HgCdTe with various insulators

    Energy Technology Data Exchange (ETDEWEB)

    Voitsekhovskii, A.V., E-mail: [Department of Radiophysics, Tomsk State University, Lenin av., 36, 634050, Tomsk (Russian Federation); Laboratory of Optical Electronics, Siberian Physical Technical Institute TSU, Novosobornaya sq., 1, 634050, Tomsk (Russian Federation); Nesmelov, S.N., E-mail: [Laboratory of Optical Electronics, Siberian Physical Technical Institute TSU, Novosobornaya sq., 1, 634050, Tomsk (Russian Federation); Dzyadukh, S.M. [Laboratory of Optical Electronics, Siberian Physical Technical Institute TSU, Novosobornaya sq., 1, 634050, Tomsk (Russian Federation)


    Metal-insulator-semiconductor structures based on HgCdTe are grown by molecular-beam epitaxy. Near-surface graded-gap layers with a high CdTe content are inserted on both sides of the epitaxial HgCdTe film. The capacitance-voltage characteristics of these structures are studied experimentally. The main characteristics of these graded-gap HgCdTe structures are determined taking into account the effect of the non-uniform composition of the near-surface layers on the measured parameters. The capacitance-voltage characteristics of the graded-gap HgCdTe structures with various insulators are examined and the densities of surface states, densities of fixed and mobile charges are evaluated. The properties of the interface for CdTe grown in situ are found to be fairly good. We found that for structures based on HgCdTe-CdTe typical of very low density of mobile charges, the density of fixed charge does not exceed a 5.5 Multiplication-Sign 10{sup 10} cm{sup -2}. - Highlights: Black-Right-Pointing-Pointer The metal-insulator-semiconductor structures based on HgCdTe were studied. Black-Right-Pointing-Pointer A method is proposed for investigation of these graded-gap structures. Black-Right-Pointing-Pointer The properties of the interface HgCdTe with some insulators were investigated. Black-Right-Pointing-Pointer The properties of the interface for CdTe are found to be fairly good.

  9. The metallicities of stars with and without transiting planets

    DEFF Research Database (Denmark)

    Buchhave, Lars A.; Latham, David W.


    terrestrial-sized planets. Here, we report metallicities for a sample of 518 stars in the Kepler field that have no detected transiting planets and compare their metallicity distribution to a sample of stars that hosts small planets (). Importantly, both samples have been analyzed in a homogeneous manner...... using the same set of tools (Stellar Parameters Classification tool). We find the average metallicity of the sample of stars without detected transiting planets to be and the sample of stars hosting small planets to be . The average metallicities of the two samples are indistinguishable within......Host star metallicities have been used to infer observational constraints on planet formation throughout the history of the exoplanet field. The giant planet metallicity correlation has now been widely accepted, but questions remain as to whether the metallicity correlation extends to the small...

  10. Broadband and wide angle near-unity absorption in graphene-insulator-metal thin film stacks (United States)

    Zhang, H. J.; Zheng, G. G.; Chen, Y. Y.; Xu, L. H.


    Broadband unity absorption in graphene-insulator-metal (GIM) structures is demonstrated in the visible (VIS) and near-infrared (NIR) spectra. The spectral characteristics possess broadband absorption peaks, by simply choosing a stack of GIM, while no nanofabrication steps and patterning are required, and thus can be easily fabricated to cover a large area. The electromagnetic (EM) waves can be entirely trapped and the absorption can be greatly enhanced are verified with the finite-difference time-domain (FDTD) and rigorous coupled wave analysis (RCWA) methods. The position and the number of the absorption peak can be totally controlled by adjusting the thickness of the insulator layer. The proposed absorber maintains high absorption (above 90%) for both transverse electric (TE) and transverse magnetic (TM) polarizations, and for angles of incidence up to 80°. This work opens up a promising approach to realize perfect absorption (PA) with ultra-thin film, which could implicate many potential applications in optical detection and optoelectronic devices.

  11. Controlled thermoelectric response of a tunable Rashba coupled metal-insulator-superconductor junction (United States)

    Kapri, Priyadarshini; Adhikary, Priyanka; Sinha, Shubham; Basu, Saurabh


    Thermoelectric effect for metal, insulator and the superconductor junctions has been studied with Rashba spin-orbit coupling (RSOC) being present at the interfaces via modified Blonder-Tinkham-Klapwijk (BTK) theory. We find that the thermopower, as a function of an effective barrier potential that characterizes the intermediate insulating layer, displays an oscillatory behavior. Interesting interplay between the strength of RSOC and the effective barrier potential has been carried out in details in this regard. For specific ranges of the effective barrier potential, RSOC enhances the thermopower, while the reverse happens for other values. Moreover it is found that the effective barrier potential plays a crucial role in determining the thermopower spectrum. For a tunable Rashba coupling, the thermopower of the junction can be controlled with precision, which may useful for the thermoelectric applications, at low temperatures. Further the efficiency of the system is obtained for different pairing correlations of the superconducting lead where we find that the system with a d-wave symmetry is more efficient as compared to a s-wave correlation, in some selective regions of effective barrier potential. It is found that for some selective regions of effective barrier potential, the efficiency of the system increases with RSOC and the opposite happens for other values.

  12. Infrared-transmittance tunable metal-insulator conversion device with thin-film-transistor-type structure on a glass substrate

    Directory of Open Access Journals (Sweden)

    Takayoshi Katase


    Full Text Available Infrared (IR transmittance tunable metal-insulator conversion was demonstrated on a glass substrate by using thermochromic vanadium dioxide (VO2 as the active layer in a three-terminal thin-film-transistor-type device with water-infiltrated glass as the gate insulator. Alternative positive/negative gate-voltage applications induce the reversible protonation/deprotonation of a VO2 channel, and two-orders of magnitude modulation of sheet-resistance and 49% modulation of IR-transmittance were simultaneously demonstrated at room temperature by the metal-insulator phase conversion of VO2 in a non-volatile manner. The present device is operable by the room-temperature protonation in an all-solid-state structure, and thus it will provide a new gateway to future energy-saving technology as an advanced smart window.

  13. Nuclear reactor pressure vessel with an inner metal coating covered with a high temperature resistant thermal insulator

    International Nuclear Information System (INIS)


    The thermal insulator covering the metal coating of a reactor vessel is designed for resisting high temperatures. It comprises one or several porous layers of ceramic fibers or of stacked metal foils, covered with a layer of bricks or ceramic tiles. The latter are fixed in position by fasteners comprising pins fixed to the coating and passing through said porous layers and fasteners (nut or bolts) for individually fixing the bricks to said pins, whereas ceramic plugs mounted on said bricks or tiles provide for the thermal insulation of the pins and of the nuts or bolts; such a thermal insulation can be applied to high-temperature reactors or to fast reactors [fr

  14. Spectrum of ferromagnetic transition metal magnetic excitations and neutron scattering

    International Nuclear Information System (INIS)

    Kuzemskij, A.L.


    Quantum statistical models of ferromagnetic transition metals as well as methods of their solutions are reviewed. The correspondence of results on solving these models and the data on scattering thermal neutrons in ferromagnetic is discussed

  15. New approaches in organometallic and transition metal assemblies

    Indian Academy of Sciences (India)

    Stannoxanes and phosphonates: New approaches in organometallic and transition metal assemblies. VADAPALLI CHANDRASEKHAR*, KANDASAMY GOPAL,. LOGANATHAN NAGARAJAN, PALANI SASIKUMAR and PAKKIRISAMY THILAGAR. Department of Chemistry, Indian Institute of Technology, Kanpur 208 016.

  16. Microrefrigeration by a pair of normal metal/insulator/superconductor junctions (United States)

    Leivo, M. M.; Pekola, J. P.; Averin, D. V.


    We suggest and demonstrate experimentally that two normal metal/insulator/superconductor (NIS) tunnel junctions combined in series to form a symmetric SINIS structure can operate as an efficient Peltier refrigerator. Specifically, it is shown that the SINIS structure with normal-state junction resistences of 1.0 and 1.1 kOmega is capable of reaching a temperature of about 100 mK starting from 300 mK. We estimate the corresponding cooling power to be 1.5 pW per total junction area of 0.8 micrometers(exp 2) at T = 300 mK. This cooling power density implies that scaling of junction area up to about 1 mm(exp 2) should bring the cooling power into the microW range.

  17. Metal-insulator crossover in superconducting cuprates in strong magnetic fields

    International Nuclear Information System (INIS)

    Marchetti, P.A.; Su Zhaobin; Yu Lu


    The metal-insulator crossover of the in-plane resistivity upon temperature decrease, recently observed in several classes of cuprate superconductors, when a strong magnetic field suppresses the superconductivity, is explained using the U(1)xSU(2) Chern-Simons gauge field theory. The origin of this crossover is the same as that for a similar phenomenon observed in heavily underdoped cuprates without magnetic field. It is due to the interplay between the diffusive motion of the charge carriers and the 'peculiar' localization effect due to short-range antiferromagnetic order. We also calculate the in-plane transverse magnetoresistance which is in a fairly good agreement with available experimental data. (author)

  18. Trends in catalytic NO decomposition over transition metal surfaces

    DEFF Research Database (Denmark)

    Falsig, Hanne; Bligaard, Thomas; Rass-Hansen, Jeppe


    The formation of NOx from combustion of fossil and renewable fuels continues to be a dominant environmental issue. We take one step towards rationalizing trends in catalytic activity of transition metal catalysts for NO decomposition by combining microkinetic modelling with density functional...... theory calculations. We show specifically why the key problem in using transition metal surfaces to catalyze direct NO decomposition is their significant relative overbinding of atomic oxygen compared to atomic nitrogen....

  19. Little-Parks Oscillations in a Single Ring in the vicinity of the Superconductor-Insulator Transition


    Gurovich, Doron; Tikhonov, Konstantin S.; Mahalu, Diana; Shahar, Dan


    We present results of measurements obtained from a mesoscopic ring of a highly disordered superconductor. Superimposed on a smooth magnetoresistance background we find periodic oscillations with a period that is independent of the strength of the magnetic field. The period of the oscillations is consistent with charge transport by Cooper pairs. The oscillations persist unabated for more than 90 periods, through the transition to the insulating phase, up to our highest field of 12 T.

  20. Early Transition Metal Alkyl and Tetrahydroborate Complexes. (United States)

    Jensen, James Allen


    An investigation of early transition metal alkyl and tetrahydroborate complexes as catalytic models and ceramic precursors has been initiated. The compounds MX _2 (dmpe)_2, dmpe = 1,2-bis(dimethylphosphino)ethane, for M = Ti, V, Cr, and X = Br, I, BH_4, have been prepared. These complexes are paramagnetic and have been shown by X-ray crystallography to have trans-octahedral structures. The BH_4^{-} groups in Ti(BH_4)_2(dmpe) _2 bond to the metal in a bidentate manner. This structure is in marked contrast to the structure of the vanadium analogue, V(BH_4)_2 (dmpe)_2, which displays two unidentate BH_4^{-} groups. Alkylation of Ti(BH_4)_2 (dmpe)_2 with LiMe results in the complex TiMe_2(dmpe) _2 which is diamagnetic in both solution and solid state. Single crystal X-ray and neutron diffraction studies show that there may be strong Ti-C pi -bonding. A tetragonal compression along the C -Ti-C bond vector accounts for the observed diamegnetism. A series of complexes of the formula Ti(BH _4)_3(PR_3)_2 has been prepared where PR_3 = PMe_3, PEt_3, PMe_3Ph, and P(OMe)_3 . The X-ray crystal structure of Ti(BH _4)_3(PMe_3)_2 reveals a pseudo trigonal bipyramidal geometry in which two BH_4^{-} groups display an unusual "side-on" bonding mode. The "side-on" ligation mode has been attributed to a Jahn-Teller distortion of the orbitally degenerate d^1 ground state. In contrast, the non-Jahn-Teller susceptible vanadium analogue, V(BH_4)_3 (PMe_3)_2, possesses a nearly ideal D_{rm 3h} >=ometry with three bidentate tetrahydroborate groups. Addition of excess PMe_3 to V(BH_4)_3(PMe _3)_2water forms the vanadium(III) oxo dimer (V(BH_4)_2 (PMe_3)_2]_2 [mu-O) which has been structurally characterized. The compound Ti(CH_2CMe _3)_4 can be prepared by addition of Ti(OEt)_4 to LiCH_2 CMe_3. Sublimation of Ti(CH _2CMe_3)_4 over a substrate heated to 250^ circC results in the chemical vapor deposition of amorphous TiC thin films. This CVD approach has been extended to the Group 4 borides: Ti

  1. Transition metal mediated transformations of small molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Ayusman [Pennsylvania State Univ., University Park, PA (United States)


    Catalysis at metal centers is of great scientific, as well as practical, importance because of the high efficiency, high specificity, and low energy demands often associated with such systems. The two major themes of our research are (a) the design of metal-based systems for the synthesis of novel classes of polymers and (b) the identification of new metal-catalyzed systems for the conversion of biomass to fuels and chemicals, and related “green” chemical processes.

  2. A plasmonic modulator based on metal-insulator-metal waveguide with barium titanate core

    DEFF Research Database (Denmark)

    Babicheva, Viktoriia; Lavrinenko, Andrei


    We design a plasmonic modulator which can be utilized as a compact active device in photonic integrated circuits. The active material, barium titanate (BaTiO3), is sandwiched between metal plates and changes its refractive index under applied voltage. Some degree of switching of ferroelectric...

  3. High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2 (United States)

    Yao, Yansun; Stavrou, Elissaios; Goncharov, Alexander F.; Majumdar, Arnab; Wang, Hui; Prakapenka, Vitali B.; Epshteyn, Albert; Purdy, Andrew P.


    A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2]∞ chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general.

  4. [Non-empirical interatomic potentials for transition metals

    International Nuclear Information System (INIS)


    The report is divided into the following sections: potential-energy functions for d-band metals, potential-energy functions for aluminides and quasicrystals, electronic structure of complex structures and quasicrystals, potential-energy functions in transition-metal oxides, applications to defect structure and mechanical properties, and basic theory of interatomic potentials

  5. Catalytic olefin polymerization with early transition metal compounds

    NARCIS (Netherlands)

    Eshuis, Johan Jan Willem


    The catalysis of organic reactions by soluble metal complexes has become a major tool in synthesis, both in the laboratory and in the chemical industry. Processes catalyzed by transition metal complexes include carbonylation, olefin polymerization, olefin addition, olefin oxidation and alkane and

  6. Nonmetal-metal transition in metal–molten-salt solutions

    NARCIS (Netherlands)

    Silvestrelli, P.-L.; Alavi, A.; Parrinello, M.; Frenkel, D.


    The method of ab initio molecular dynamics, based on finite-temperature density-functional theory, is used to study the nonmetal-metal transition in two different metal–molten-salt solutions, Kx(KCl)1-x and Nax(NaBr)1-x. As the excess metal concentration is increased the electronic density becomes

  7. Silicon dioxide with a silicon interfacial layer as an insulating gate for highly stable indium phosphide metal-insulator-semiconductor field effect transistors (United States)

    Kapoor, V. J.; Shokrani, M.


    A novel gate insulator consisting of silicon dioxide (SiO2) with a thin silicon (Si) interfacial layer has been investigated for high-power microwave indium phosphide (InP) metal-insulator-semiconductor field effect transistors (MISFETs). The role of the silicon interfacial layer on the chemical nature of the SiO2/Si/InP interface was studied by high-resolution X-ray photoelectron spectroscopy. The results indicated that the silicon interfacial layer reacted with the native oxide at the InP surface, thus producing silicon dioxide, while reducing the native oxide which has been shown to be responsible for the instabilities in InP MISFETs. While a 1.2-V hysteresis was present in the capacitance-voltage (C-V) curve of the MIS capacitors with silicon dioxide, less than 0.1 V hysteresis was observed in the C-V curve of the capacitors with the silicon interfacial layer incorporated in the insulator. InP MISFETs fabricated with the silicon dioxide in combination with the silicon interfacial layer exhibited excellent stability with drain current drift of less than 3 percent in 10,000 sec, as compared to 15-18 percent drift in 10,000 sec for devices without the silicon interfacial layer. High-power microwave InP MISFETs with Si/SiO2 gate insulators resulted in an output power density of 1.75 W/mm gate width at 9.7 GHz, with an associated power gain of 2.5 dB and 24 percent power added efficiency.

  8. Special about transition metals in alloy phase formation

    Energy Technology Data Exchange (ETDEWEB)

    Watson, R E; Bennett, L H


    The d-electrons are special, though their bonding properties remain to be completely understood. It is recognized that d band broadening is the dominant term contributing to transition metal cohesion. It is also generally recognized that in compound formation between transition-metals and polyvalent metals, hybridization between d-bands and polyvalent atom p bands provides a significant contribution to the energy (for example there is such a term in Miedema's scheme). Less generally realized is that d-band hybridization leads to changes in d-electron counts at a transition metal site which are opposite in sign to the net charge transfer on or off the site. The renormalized atom picture of cohesion of the pure transition metals and consider the experimental evidence and the theoretical understanding of d charge transfer going the wrong way are reviewed. A picture of the electronegativity of transition metals based on this trend is developed. Charge transfer associated with equalizing the local chemical potentials in alloys is estimated. Friedel type model alloy calculations are reviewed. The implications of the experimental charge transfer information from Moessbauer isomer shifts to such model alloy calculations and to the strength of the Coulomb enery associated with charge transfer is considered.

  9. Compact wideband plasmonic filter with flat-top transmission response based on corrugated metal-insulator-metal ring resonator. (United States)

    Yang, Liu; Zhou, Yong Jin; Zhang, Chao; Xiao, Qian Xun


    We demonstrate a novel route to control the filtering of spoof localized surface plasmons (LSPs) on the corrugated metal-insulator-metal (MIM) ring resonator. The spoof LSPs resonance modes can be effectively tuned to achieve broad passband (covering the quadrupole mode and the hexapole mode) by selecting proper lengths in the input and output coupling area. The mutual coupling between the input and output lines produces the flat-top transmission response and sharp out-of-band rejection. Compared with the wideband bandpass filters based on spoof plasmonic waveguides, the proposed filter is ultra-compact and only 0.35λ*0.35λ. In order to further improve the property of the bandpass plasmonic filter, all the out-of-band frequencies (the dipole mode and the octopole mode) have been rejected by introducing a shunt stepped-impedance resonator and double C-shaped rings on the back of the substrate of the filter. Simulated results are confirmed via experiment, showing good rejection and wideband filtering performance with low insertion loss, flat-top transmission response and sharp out-of-band suppression. The proposed filter can find more applications in the highly integrated plasmonic circuits and systems in both terahertz and microwave regimes.

  10. Fabrication of Buried Co-Planar Metal-Insulator-Metal Nanojunctions with a Gap Lower than 10nm (United States)

    Rousset, V.; Joachim, C.; Itoua, S.; Rousset, B.; Fabre, N.


    An improvement of a process to fabricate co-planar metal-insulator-metal nanojunctions is presented to reach a gap length much lower than 10 nm using a 20 keV e-beam and an AuPd lift-off. The electrodes of the nanojunction are less than 100 nm in width and are buried in the SiO2 substrate. For the 8 nm nanojunctions, the gap is still filled with SiO2 if care is taken about the SiO2 etching step of the process. Un procédé de fabrication est proposé pour obtenir des nanojonctions métal-isolant-métal co-planaires d'une largeur d'isolant bien inférieure à 10nm en utilisant un masqueur électronique à 20keV et un “lift-off” à l'or-palladium. Les électrodes de la nanojonction enterrées dans la silice ont une largeur de moins de 100nm et sont distantes de 8nm. En optimisant l'étape de sous gravure, il est possible de conserver de la silice comme isolant entre les électrodes.

  11. Reactivity of monoolefin ligand in transition metal complexes

    International Nuclear Information System (INIS)

    Rybinskaya, M.I.


    The main tendencies in the coordinated olefin ligand property changes are discussed in the transition metal complexes in comparison with free olefins. The review includes the papers published from 1951 up to 1976. It has been shown that in complexes with transition metal cations olefin π-base acquires the ability to react with nucleophylic reagents. Olefin π-acids in complexes with zero valent metals are easily subjected to electrophylic reagent action. At coordination with transition metal cations the olefin properties are generally preserved, while in the zero-valent metal complexes the nonsaturated ligand acquires the properties of a saturated compounds. The ability of transition metal cations in complexes to intensify reactions of nucleophylic bimolecular substitution of vinyl halogen is clearly detected in contrast to the zero valent metal complexes. It has been shown that investigations of the coordinated olefin ligand reactivity give large possibilities in the further development of the organic synthesis. Some reactions are taken as the basis of important industrial processes

  12. Method for disclosing invisible physical properties in metal-ferroelectric-insulator-semiconductor gate stacks (United States)

    Sakai, Shigeki; Zhang, Wei; Takahashi, Mitsue


    In metal-ferroelectric-insulator-semiconductor gate stacks of ferroelectric-gate field effect transistors (FeFETs), it is impossible to directly obtain curves of polarization versus electric field (P f-E f) in the ferroelectric layer. The P f-E f behavior is not simple, i.e. the P f-E f curves are hysteretic and nonlinear, and the hysteresis curve width depends on the electric field scan amplitude. Unless the P f-E f relation is known, the field E f strength cannot be solved when the voltage is applied between the gate meal and the semiconductor substrate, and thus P f-E f cannot be obtained after all. In this paper, the method for disclosing the relationships among the polarization peak-to-peak amplitude (2P mm_av), the electric field peak-to-peak amplitude (2E mm_av), and the memory window (E w) in units of the electric field is presented. To get P mm_av versus E mm_av, FeFETs with different ferroelectric-layer thicknesses should be prepared. Knowing such essential physical parameters is helpful and in many cases enough to quantitatively understand the behavior of FeFETs. The method is applied to three groups. The first one consists of SrBi2Ta2O9-based FeFETs. The second and third ones consist of Ca x Sr1-x Bi2Ta2O9-based FeFETs made by two kinds of annealing. The method can clearly differentiate the characters of the three groups. By applying the method, ferroelectric relationships among P mm_av, E mm_av, and E w are well classified in the three groups according to the difference of the material kinds and the annealing conditions. The method also evaluates equivalent oxide thickness (EOT) of a dual layer of a deposited high-k insulator and a thermally-grown SiO2-like interfacial layer (IL). The IL thickness calculated by the method is consistent with cross-sectional image of the FeFETs observed by a transmission electron microscope. The method successfully discloses individual characteristics of the ferroelectric and the insulator layers hidden in the gate stack

  13. Flexible metallic seal for transition duct in turbine system (United States)

    Flanagan, James Scott; LeBegue, Jeffrey Scott; McMahan, Kevin Weston; Dillard, Daniel Jackson; Pentecost, Ronnie Ray


    A turbine system is disclosed. In one embodiment, the turbine system includes a transition duct. The transition duct includes an inlet, an outlet, and a passage extending between the inlet and the outlet and defining a longitudinal axis, a radial axis, and a tangential axis. The outlet of the transition duct is offset from the inlet along the longitudinal axis and the tangential axis. The transition duct further includes an interface member for interfacing with a turbine section. The turbine system further includes a flexible metallic seal contacting the interface member to provide a seal between the interface member and the turbine section.

  14. [Transition metal mediated transformations of small molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sen, A.


    Work on organotransition metal chemistry, homogeneous and heterogeneous catalysis is summarized. Several cationic palladium(II) complexes with bulky phosphine or pyridine ligands were discovered that are highly selective catalysts for linear dimerization of vinyl monomers and linear polymerization of p-divinylbenzene, the reactions proceeding through a carbocationic mechanism. Our studies were continued on alternating olefin-carbon monoxide copolymers. The copolymerization reaction and reactivity of copolymers were examined. New catalytic systems for alternating copolymerization of [alpha]-olefins with CO were discovered. In the case of styrene derivatives, tactic copolymers were obtained. Poly(ethylenepyrrolediyl) derivatives were synthesized from alternating ethylene-carbon monoxide copolymer and become electronic conductors when doped with iodine. A catalytic system for direct synthesis of polyureas and polyoxamides from and diamines was also discovered. Pt metal catalyzed the oxidation of ethers, esters, and amines to carboxylic acids and the oxidation of olefins to 1,2-diols. Anaerobic and aerobic decomposition of molybdenum(VI)-oxoalkyl compounds were studied for heterogeneous oxidation of alkanes and olefins on Mo(VI)-oxide surfaces. Synthesis of polymer-trapped metal, metal oxide, and metal sulfide nanoclusters (size <1--10 nm) was studied.

  15. Transition-metal-free chemo- and regioselective vinylation of azaallyls (United States)

    Li, Minyan; Gutierrez, Osvaldo; Berritt, Simon; Pascual-Escudero, Ana; Yeşilçimen, Ahmet; Yang, Xiaodong; Adrio, Javier; Huang, Georgia; Nakamaru-Ogiso, Eiko; Kozlowski, Marisa C.; Walsh, Patrick J.


    Direct C(sp3)-C(sp2) bond formation under transition-metal-free conditions offers an atom-economical, inexpensive and environmentally benign alternative to traditional transition-metal-catalysed cross-coupling reactions. A new chemo- and regioselective coupling protocol between 3-aryl-substituted-1,1-diphenyl-2-azaallyl derivatives and vinyl bromides has been developed. This is the first transition-metal-free cross-coupling of azaallyls with vinyl bromide electrophiles and delivers allylic amines in excellent yields (up to 99%). This relatively simple and mild protocol offers a direct and practical strategy for the synthesis of high-value allylic amine building blocks that does not require the use of transition metals, special initiators or photoredox catalysts. Radical clock experiments, electron paramagnetic resonance studies and density functional theory calculations point to an unprecedented substrate-dependent coupling mechanism. Furthermore, an electron paramagnetic resonance signal was observed when the N-benzyl benzophenone ketimine was subjected to silylamide base, supporting the formation of radical species upon deprotonation. The unique mechanisms outlined herein could pave the way for new approaches to transition-metal-free C-C bond formations.

  16. Stable isotopes of transition and post-transition metals as tracers in environmental studies (United States)

    Bullen, Tomas D.; Baskaran, Mark


    The transition and post-transition metals, which include the elements in Groups 3–12 of the Periodic Table, have a broad range of geological and biological roles as well as industrial applications and thus are widespread in the environment. Interdisciplinary research over the past decade has resulted in a broad understanding of the isotope systematics of this important group of elements and revealed largely unexpected variability in isotope composition for natural materials. Significant kinetic and equilibrium isotope fractionation has been observed for redox sensitive metals such as iron, chromium, copper, molybdenum and mercury, and for metals that are not redox sensitive in nature such as cadmium and zinc. In the environmental sciences, the isotopes are increasingly being used to understand important issues such as tracing of metal contaminant sources and fates, unraveling metal redox cycles, deciphering metal nutrient pathways and cycles, and developing isotope biosignatures that can indicate the role of biological activity in ancient and modern planetary systems.

  17. Nanodisperse transition metal electrodes (NTME) for electrochemical cells

    Energy Technology Data Exchange (ETDEWEB)

    Striebel, Kathryn A.; Wen, Shi-Jie


    Disclosed are transition metal electrodes for electrochemical cells using gel-state and solid-state polymers. The electrodes are suitable for use in primary and secondary cells. The electrodes (either negative electrode or positive electrode) are characterized by uniform dispersion of the transition metal at the nanoscale in the polymer. The transition metal moiety is structurally amorphous, so no capacity fade should occur due to lattice expansion/contraction mechanisms. The small grain size, amorphous structure and homogeneous distribution provide improved charge/discharge cycling performance, and a higher initial discharge rate capability. The cells can be cycled at high current densities, limited only by the electrolyte conductivity. A method of making the electrodes (positive and negative), and their usage in electrochemical cells are disclosed.

  18. For progress in natural science: Materials international investigations of structural phase transformation and THz properties across metal–insulator transition in VO2/Al2O3 epitaxial films

    Directory of Open Access Journals (Sweden)

    Mengmeng Yang


    Full Text Available Vanadium dioxide (VO2 epitaxial thin films on (0001-oriented Al2O3 substrates were prepared using radio frequency (RF magnetron sputtering techniques. To study the metal-insulator-transition (MIT mechanism and extend the applications of VO2 epitaxial films at terahertz (THz band, temperature-dependent X-ray diffraction (XRD and THz time domain spectroscopy of the VO2 epitaxial films were performed. Both the lattice constants and THz transmission exhibited a similar and sharp transition that was similar to that observed for the electrical resistance. Consequently, the MIT of the VO2/Al2O3 epitaxial films should be co-triggered by the structural phase transition and electronic transition. Moreover, the very large resistance change (on the order of ~103 and THz response (with a transmission modulation ratio of ~87% in the VO2/Al2O3 epitaxial heterostructures are promising for electrical switch and electro-optical device applications.

  19. The nonmetal-metal transition in solutions of metals in molten salts

    International Nuclear Information System (INIS)

    Tosi, M.P.


    Solutions of metals in molten salts present a rich phenomenology: localization of electrons in disordered ionic media, activated electron transport increasing with metal concentration towards a nonmetal-metal (NM-M) transition, and liquid-liquid phase separation. A brief review of progress in the study of these systems is given in this article, with main focus on the NM-M transition. After recalling the known NM-M behaviour of the component elements in the case of expanded fluid alkali metals and mercury and of solid halogens under pressure, the article focuses on liquid metal - molten salt solutions and traces the different NM-M behaviours of the alkalis in their halides and of metals added to polyvalent metal halides. (author). 51 refs, 2 figs

  20. Development of dissimilar metal transition joint by hot bond rolling

    International Nuclear Information System (INIS)

    Kurokawa, Hiroyuki; Nakasuji, Kazuyuki; Kajimura, Haruhiko; Nagai, Takayuki; Takeda, Seiichiro.


    Metallurgically bonded transition joints which enable to connect reprocessing equipments made of superior corrosion resistant valve metals (Ti-5Ta, Zr or Ti) to stainless steel piping are required for nuclear fuel reprocessing plants. The authors have developed dissimilar transition joints made of stainless steel and Ti-5Ta, Zr or Ti with an insert metal of Ta by the hot bond rolling process of clad bars and clad pipes, using a newly developed mill called 'rotary reduction mill'. This report presents the manufacturing process of dissimilar transition joints produced from the clad pipe with three layers by the hot bond rolling. First, the method of hot bond rolling of clad pipe is proposed. Then, the mechanical and corrosion properties of the dissimilar transition joints are evaluated in detail by carrying out various tests. Finally, the rolling properties in the clad pipe method are discussed. (author)

  1. Fabrication and characterization of NiO based metal-insulator-metal diode using Langmuir-Blodgett method for high frequency rectification (United States)

    Azad, Ibrahim; Ram, Manoj K.; Goswami, D. Yogi; Stefanakos, Elias


    Thin film metal-insulator-metal (MIM) diodes have attracted significant attention for use in infrared energy harvesting and detection applications. As demonstrated over the past decades, MIM or metal-insulator-insulator-metal (MIIM) diodes can operate at the THz frequencies range by quantum tunneling of electrons. The aim of this work is to synthesize required ultra-thin insulating layers and fabricate MIM diodes using the Langmuir-Blodgett (LB) technique. The nickel stearate (NiSt) LB precursor film was deposited on glass, silicon (Si), ITO glass and gold coated silicon substrates. The photodesorption (UV exposure) and the thermodesorption (annealing at 100 °C and 350 °C) methods were used to remove organic components from the NiSt LB film and to achieve a uniform homogenous nickel oxide (NiO) film. These ultrathin NiO films were characterized by EDS, AFM, FTIR and cyclic voltammetry methods, respectively. The MIM diode was fabricated by depositing nickel (Ni) on the NiO film, all on a gold (Au) plated silicon (Si) substrate. The current (I)-voltage (V) characteristics of the fabricated diode were studied to understand the conduction mechanism assumed to be tunneling of electron through the ultra-thin insulating layer. The sensitivity of the diode was measured to be as high as 35 V-1. The diode resistance was ˜100 ohms (at a bias voltage of 0.60 V), and the rectification ratio was about 22 (for a signal voltage of ±200 mV). At the bias point, the diode response demonstrated significant non-linearity and high asymmetry, which are very desirable characteristics for applications in infrared detection and harvesting.

  2. Direct NO decomposition over stepped transition-metal surfaces

    DEFF Research Database (Denmark)

    Falsig, Hanne; Bligaard, Thomas; Christensen, Claus H.


    We establish the full potential energy diagram for the direct NO decomposition reaction over stepped transition-metal surfaces by combining a database of adsorption energies on stepped metal surfaces with known Bronsted-Evans-Polanyi (BEP) relations for the activation barriers of dissociation...... of diatomic molecules over stepped transition- and noble-metal surfaces. The potential energy diagram directly points to why Pd and Pt are the best direct NO decomposition catalysts among the 3d, 4d, and 5d metals. We analyze the NO decomposition reaction in terms of a Sabatier-Gibbs-type analysis, and we...... demonstrate that this type of analysis yields results that to within a surprisingly small margin of error are directly proportional to the measured direct NO decomposition over Ru, Rh, Pt, Pd, Ag, and An. We suggest that Pd, which is a better catalyst than Pt under the employed reaction conditions...


    African Journals Online (AJOL)

    Experimental results show that the addition of Zr, Mn, Co, and Cu promoters improved the activity of Pt Rh Pd/γ-Al2O3 catalyst remarkably for CO, CH and NOx conversion, respectively. The effective order of the promoters is CuO > ZrO2 > Co3O4 > MnO2. The addition of CuO improved the dispersion of the noble metal on ...

  4. Integrating Transition Metals into Nanomaterials: Strategies and Applications

    KAUST Repository

    Fhayli, Karim


    Transition metals complexes have been involved in various catalytic, biomedical and industrial applications, but only lately they have been associated with nanomaterials to produce innovative and well-defined new hybrid systems. The introduction of transition metals into nanomaterials is important to bear the advantages of metals to nanoscale and also to raise the stability of nanomaterials. In this dissertation, we study two approaches of associating transition metals into nanomaterials. The first approach is via spontaneous self-organization based assembly of small molecule amphiphiles and bulky hydrophilic polymers to produce organic-inorganic hybrid materials that have nanoscale features and can be precisely controlled depending on the experimental conditions used. These hybrid materials can successfully act as templates to design new porous material with interesting architecture. The second approach studied is via electroless reduction of transition metals on the surface of nanocarbons (nanotubes and nanodiamonds) without using any reducing agents or catalysts. The synthesis of these systems is highly efficient and facile resulting in stable and mechanically robust new materials with promising applications in catalysis.

  5. Density functional theory studies of transition metal nanoparticles in catalysis

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua


    Periodic Density Functional Theory calculations are capable of providing powerful insights into the structural, energetics, and electronic phenomena that underlie heterogeneous catalysis on transition metal nanoparticles. Such calculations are now routinely applied to single crystal metal surfaces...... and electrocatalysis, in which single crystal models are combined with Wulff construction-based ideas to produce descriptions of average nanocatalyst behavior. Then, I will proceed to describe explicitly DFT-based descriptions of catalysis on truly nanosized particles (

  6. Characterization of micro-resonator based on enhanced metal insulator semiconductor capacitor for glucose recognition. (United States)

    Dhakal, Rajendra; Kim, E S; Jo, Yong-Hwa; Kim, Sung-Soo; Kim, Nam-Young


    We present a concept for the characterization of micro-fabricated based resonator incorporating air-bridge metal-insulator-semiconductor (MIS) capacitor to continuously monitor an individual's state of glucose levels based on frequency variation. The investigation revealed that, the micro-resonator based on MIS capacitor holds considerable promise for implementation and recognition as a glucose sensor for human serum. The discrepancy in complex permittivity as a result of enhanced capacitor was achieved for the detection and determination of random glucose concentration levels using a unique variation of capacitor that indeed results in an adequate variation of the resonance frequency. Moreover, the design and development of micro-resonator with enhanced MIS capacitor generate a resolution of 112.38 × 10 -3 pF/mg/dl, minimum detectable glucose level of 7.45mg/dl, and a limit of quantification of 22.58mg/dl. Additionally, this unique approach offers long-term reliability for mediator-free glucose sensing with a relative standard deviation of less than 0.5%. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

  7. Low dielectric constant-based organic field-effect transistors and metal-insulator-semiconductor capacitors (United States)

    Ukah, Ndubuisi Benjamin

    This thesis describes a study of PFB and pentacene-based organic field-effect transistors (OFET) and metal-insulator-semiconductor (MIS) capacitors with low dielectric constant (k) poly(methyl methacrylate) (PMMA), poly(4-vinyl phenol) (PVP) and cross-linked PVP (c-PVP) gate dielectrics. A physical method -- matrix assisted pulsed laser evaporation (MAPLE) -- of fabricating all-polymer field-effect transistors and MIS capacitors that circumvents inherent polymer dissolution and solvent-selectivity problems, is demonstrated. Pentacene-based OFETs incorporating PMMA and PVP gate dielectrics usually have high operating voltages related to the thickness of the dielectric layer. Reduced PMMA layer thickness (≤ 70 nm) was obtained by dissolving the PMMA in propylene carbonate (PC). The resulting pentacene-based transistors exhibited very low operating voltage (below -3 V), minimal hysteresis in their transfer characteristics, and decent electrical performance. Also low voltage (within -2 V) operation using thin (≤ 80 nm) low-k and hydrophilic PVP and c-PVP dielectric layers obtained via dissolution in high dipole moment and high-k solvents -- PC and dimethyl sulfoxide (DMSO), is demonstrated to be a robust means of achieving improved electrical characteristics and high operational stability in OFETs incorporating PVP and c-PVP dielectrics.

  8. Manipulating Light with Transition Metal Clusters, Organic Dyes, and Metal Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Ogut, Serdar [Univ. of Illinois, Chicago, IL (United States)


    The primary goals of our research program is to develop and apply state-of-the-art first-principles methods to predict electronic and optical properties of three systems of significant scientific and technological interest: transition metal clusters, organic dyes, and metal-organic frameworks. These systems offer great opportunities to manipulate light for a wide ranging list of energy-related scientific problems and applications. During this grant period, we focused our investigations on the development, implementation, and benchmarking of many-body Green’s function methods (GW approximation and the Bethe-Salpeter equation) to examine excited-state properties of transition metal/transition-metal-oxide clusters and organic molecules that comprise the building blocks of dyes and metal-organic frameworks.

  9. Ternary scandium and transition metals germanides

    International Nuclear Information System (INIS)

    Kotur, B.Ya.


    Brief review of data on phase diagram of ternary Sc-Me-Ge systems (Me-d - , f-transition element) is given. Isothermal sections at 870 and 1070 K of 17 ternary systems are plotted. Compositions and their structural characteristics are presented. Variability of crystal structure is typical for ternary scandium germanides: 70 compounds with the studied structure belong to 23 structural types. Ternary germanides isostructural to types of Sm 4 Ge 4 , ZrCrSi 2 , ZrNiAl, ScCeSi, TiNiSi U 4 Re 7 Si 6 145 compounds from 70 under investigation are mostly formed in studied systems

  10. Electronic and thermodynamic properties of transition metal elements and compounds

    International Nuclear Information System (INIS)

    Haeglund, J.


    This thesis focuses on the use of band-structure calculations for studying thermodynamic properties of solids. We discuss 3d-, 4d- and 5d-transition metal carbides and nitrides. Through a detailed comparison between theoretical and experimental results, we draw conclusions on the character of the atomic bonds in these materials. We show how electronic structure calculations can be used to give accurate predictions for bonding energies. Part of the thesis is devoted to the application of the generalized gradient approximation in electronic structure calculations on transition metals. For structures with vibrational disorder, we present a method for calculating averaged phonon frequencies without using empirical information. For magnetic excitations, we show how a combined use of theoretical results and experimental data can yield information on magnetic fluctuations at high temperatures. The main results in the thesis are: Apart for an almost constant shift, theoretically calculated bonding energies for transition metal carbides and nitrides agree with experimental data or with values from analysis of thermochemical information. The electronic spectrum of transition metal carbides and nitrides can be separated into bonding, antibonding and nonbonding electronic states. The lowest enthalpy of formation for substoichiometric vanadium carbide VC 1-X at zero temperature and pressure occurs for a structure containing vacancies (x not equal to 0). The generalized gradient approximation improves theoretical calculated cohesive energies for 3d-transition metals. Magnetic phase transitions are sensitive to the description of exchange-correlation effects in electronic structure calculations. Trends in Debye temperatures can be successfully analysed in electronic structure calculations on disordered lattices. For the elements, there is a clear dependence on the crystal structure (e.g., bcc, fcc or hcp). Chromium has fluctuating local magnetic moments at temperatures well above

  11. Spin and Charge Transport in 2D Materials and Magnetic Insulator/Metal Heterostructures (United States)

    Amamou, Walid

    Spintronic devices are very promising for future information storage, logic operations and computation and have the potential to replace current CMOS technology approaching the scaling limit. In particular, the generation and manipulation of spin current enables the integration of storage and logic within the same circuit for more powerful computing architectures. In this thesis, we examine the manipulation of spins in 2D materials such as graphene and metal/magnetic insulator heterostructures. In particular, we investigate the feasibility for achieving magnetization switching of a nanomagnet using graphene as a nonmagnetic channel material for All Spin Logic Device applications. Using in-situ MBE deposition of nanomagnet on graphene spin valve, we demonstrate the presence of an interfacial spin dephasing at the interface between the graphene and the nanomagnet. By introducing a Cu spacer between the nanomagnet and graphene, we demonstrate that this interfacial effect is related to an exchange interaction between the spin current and the disordered magnetic moment of the nanomagnet in the first monolayer. In addition to the newly discovered interfacial spin relaxation effect, the extracted contact resistance area product of the nanomagnet/graphene interface is relatively high on the order of 1Omicrom2. In practice, reducing the contact resistance will be as important as eliminating the interfacial relaxation in order to achieve magnetization switching. Furthermore, we examine spin manipulation in a nonmagnetic Pt using an internal magnetic exchange field produced by the adjacent magnetic insulator CoFe2O4 grown by MBE. Here, we report the observation of a strong magnetic proximity effect of Pt deposited on top of a perpendicular magnetic anisotropy (PMA) inverse spinel material Cobalt Ferrite (CFO, CoFe 2O4). The CFO was grown by MBE and its magnetization was characterized by Vibrating Sample Magnetometry (VSM) demonstrating the strong out of plane magnetic

  12. Adlayer Core-Level Shifts of Random Metal Overlayers on Transition-Metal Substrates

    DEFF Research Database (Denmark)

    Ganduglia-Pirovano, M. V.; Kudrnovský, J.; Scheffler, M.


    and the screening effects induced by the core hole, and study the influence of the alloy composition for a number of noble metal-transition metal systems. Our analysis clearly indicates the importance of final-state screening effects for the interpretation of measured core-level shifts. Calculated deviations from...

  13. Dynamic Test Method Based on Strong Electromagnetic Pulse for Electromagnetic Shielding Materials with Field-Induced Insulator-Conductor Phase Transition (United States)

    Wang, Yun; Zhao, Min; Wang, Qingguo


    In order to measure the pulse shielding performance of materials with the characteristic of field-induced insulator-conductor phase transition when materials are used for electromagnetic shielding, a dynamic test method was proposed based on a coaxial fixture. Experiment system was built by square pulse source, coaxial cable, coaxial fixture, attenuator, and oscilloscope and insulating components. S11 parameter of the test system was obtained, which suggested that the working frequency ranges from 300 KHz to 7.36 GHz. Insulating performance is good enough to avoid discharge between conductors when material samples is exposed in the strong electromagnetic pulse field up to 831 kV/m. This method is suitable for materials with annular shape, certain thickness and the characteristic of field-induced insulator-conductor phase transition to get their shielding performances of strong electromagnetic pulse.

  14. How absorbed hydrogen affects the catalytic activity of transition metals. (United States)

    Aleksandrov, Hristiyan A; Kozlov, Sergey M; Schauermann, Swetlana; Vayssilov, Georgi N; Neyman, Konstantin M


    Heterogeneous catalysis is commonly governed by surface active sites. Yet, areas just below the surface can also influence catalytic activity, for instance, when fragmentation products of catalytic feeds penetrate into catalysts. In particular, H absorbed below the surface is required for certain hydrogenation reactions on metals. Herein, we show that a sufficient concentration of subsurface hydrogen, H(sub) , may either significantly increase or decrease the bond energy and the reactivity of the adsorbed hydrogen, H(ad) , depending on the metal. We predict a representative reaction, ethyl hydrogenation, to speed up on Pd and Pt, but to slow down on Ni and Rh in the presence of H(sub) , especially on metal nanoparticles. The identified effects of subsurface H on surface reactivity are indispensable for an atomistic understanding of hydrogenation processes on transition metals and interactions of hydrogen with metals in general. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. The metal-rich sulfides and phosphides of the early transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Franzen, H.F. [Ames Lab., IA (United States)]|[Iowa State Univ., Ames, IA (United States). Dept. of Chemistry


    Early work on the preparation of refractory metal-rich compounds of the early transition metals resulted in the understanding that metal-metal bonding results in a structural variety that plays an important role in the high-temperature chemistry of these systems. The binary metal-rich systems have been thoroughly studied at high temperatures, and the structures of most, if not all, of the refractory sulfides and phosphides are known. More recently new ternary phases have been discovered, and these have been shown to result from distributed fractional site occupation of metal atom sites in complex structures. The extent of metal-metal bonding has been quantified by Extended-Hueckel Tight-Bonding calculations using Mullikan Overlap Populations. Correlations of site occupancy with MOP based upon the DFSO model have been observed. 44 refs.

  16. Electrocatalysis of Hydrogen Evolution by Transition Metal Complexes

    Czech Academy of Sciences Publication Activity Database

    Heyrovský, Michael


    Roč. 66, č. 1 (2001), s. 67-80 ISSN 0010-0765 R&D Projects: GA ČR GV204/97/K084 Institutional research plan: CEZ:AV0Z4040901 Keywords : transition metals * thiocyanate complexes * electroreduction Subject RIV: CG - Electrochemistry Impact factor: 0.778, year: 2001

  17. Synthesis, spectral characterization of Schiff base transition metal ...

    Indian Academy of Sciences (India)


    Synthesis, spectral characterization of Schiff base transition metal complexes: DNA cleavage and antimicrobial activity studies. N RAMAN,* J DHAVEETHU RAJA and A SAKTHIVEL. Department of Chemistry, VHNSN College, Virudhunagar 626 001 e-mail: drn_ MS received 1 May 2007; revised 7 July ...

  18. Transition metal chemistry of hydroxy(–OH)-rich molecules ...

    Indian Academy of Sciences (India)


    Transition metal chemistry of hydroxy(–OH)-rich molecules: Syntheses, crystal structures and solution reactivity studies. MISHTU DEY 1, P K SAARENKETO 2, E KOLEHMAINEN 2,. K RISSANEN 2 and CHEBROLU P RAO 1. 1Bioinorganic Laboratory, Department of Chemistry, Indian Institute of. Technology Bombay, Powai ...

  19. Mechanical failure and glass transition in metallic glasses

    International Nuclear Information System (INIS)

    Egami, T.


    Research highlights: → We review the recent results of molecular dynamics simulations on metallic glasses. → They show the equivalence of mechanical failure and glass transition. → We discuss the microscopic mechanism behind this equivalence. → We show that the density of defects in metallic glasses is as high as a quarter. → Our concepts about the defect state in glasses need to be changed. - Abstract: The current majority view on the phenomenon of mechanical failure in metallic glasses appears to be that it is caused by the activity of some structural defects, such as free-volumes or shear transformation zones, and the concentration of such defects is small, only of the order of 1%. However, the recent results compel us to revise this view. Through molecular dynamics simulation it has been shown that mechanical failure is the stress-induced glass transition. According to our theory the concentration of the liquid-like sites (defects) is well over 20% at the glass transition. We suggest that the defect concentration in metallic glasses is actually very high, and percolation of such defects causes atomic avalanche and mechanical failure. In this article we discuss the glass transition, mechanical failure and viscosity from such a point of view.

  20. Reactions of transition metal complexes with cyclic ethers

    International Nuclear Information System (INIS)

    Milstein, D.


    Three novel reactions of epoxides with homogeneous transition-metal catalysts have been explored: (a) the selective rearrangement of internal epoxides to ketones; (b) the cleavage of C-C bond in epoxides having electron-attracting substituents; (c) the transformation of terminal epoxides into esters. Based on an intensive kinetic study, a general mechanism for the transformations of epoxides is postulated

  1. Effect of transition metal elements on the structural and optical ...

    Indian Academy of Sciences (India)

    Effect of transition metal elements on the structural and optical properties of ZnO nanoparticles. I KAZEMINEZHAD1, S SAADATMAND1 and RAMIN YOUSEFI2,∗. 1Nanotechnology Laboratory, Physics Department, Shahid Chamran University of Ahvaz, Ahvaz, Iran. 2Department of Physics, Islamic Azad University (IAU), ...

  2. Transport properties of transition metal impurities on gold nanowires (United States)

    Pontes, Renato B.; da Silva, Edison Z.; Fazzio, Adalberto; da Silva, Antônio J. R.


    Performing first principles density functional theory (DFT) we calculated the electronic and transport properties of a Au thin nanowire with transition metal atoms (Mn, Fe, Ni or Co) bridging the two sides of the Au nanowire. We will show that these systems have strong spin dependent transport properties and that the local symmetry can dramatically change them, leading to a significant spin polarized conductance. This spin dependent transport is also associated with the transition metal in the nanowire, in particular with the d-level positioning. Using Co, for example [1], when the symmetry permits the mixing between the wire s-orbitals with the transition metal d-states, there are interference effects that resemble Fano-like resonances with an anisotropy of 0.07 at the Fermi level. On the other hand, if this symmetry decouples such states, we simply have a sum of independent transmission channels and the calculated anisotropy was 0.23. The anisotropies for the other transition metals, as well as calculated transmittances for two Co impurities will also be presented [1] R. B. Pontes, E. Z. da Silva, A. Fazzio and Antônio J. R. da Silva, J. Am. Chem. Soc. 130 (30), 9897-903, 2008

  3. Vibrational properties of vacancy in bcc transition metals using ...

    Indian Academy of Sciences (India)

    The embedded atom method (EAM) potentials, with the universal form of the embedding function along with the Morse form of pair potential, have been employed to determine the potential parameters for three bcc transition metals: Fe, Mo, and W, by fitting to Cauchy pressure (C12−C44)/2, shear constants ...

  4. Exciton ionization in multilayer transition-metal dichalcogenides

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Latini, Simone; Thygesen, Kristian Sommer


    Photodetectors and solar cells based on materials with strongly bound excitons rely crucially on field-assisted exciton ionization. We study the ionization process in multilayer transition-metal dichalcogenides (TMDs) within the Mott-Wannier model incorporating fully the pronounced anisotropy...

  5. Biomass transition metal hydrogen-evolution electrocatalysts and electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wei-Fu; Iyer, Shweta; Iyer, Shilpa; Sasaki, Kotaro; Muckerman, James T.; Fujita, Etsuko


    A catalytic composition from earth-abundant transition metal salts and biomass is disclosed. A calcined catalytic composition formed from soybean powder and ammonium molybdate is specifically exemplified herein. Methods for making the catalytic composition are disclosed as are electrodes for hydrogen evolution reactions comprising the catalytic composition.

  6. Transition metal-free, base-promoted hydroalkoxylation: Synthesis ...

    Indian Academy of Sciences (India)

    Abstract. An efficient,transition metal-free method to synthesize substituted imidazo[2,1-c][1,4]oxazine derivatives via hydroalkoxylation of 1,5-alkynyl alcohol has been described. The reaction ... Muthusubramanian1. Department of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, India ...

  7. Phenalenyl-based ligand for transition metal chemistry: Application ...

    Indian Academy of Sciences (India) Abstract. We report the synthesis and characterization of the first transition metal complex of a phenalenyl- based ligand. The reaction of Cu(OAc)2.H2O with 9-N-methylamino-1-N -methylimino-phenalene (LH) in 1:1.

  8. Luminescent molecular rods - transition-metal alkynyl complexes. (United States)

    Yam, Vivian Wing-Wah; Wong, Keith Man-Chung


    A number of transition-metal complexes have been reported to exhibit rich luminescence, usually originating from phosphorescence. Such luminescence properties of the triplet excited state with a large Stoke's shift, long lifetime, high luminescence quantum yield as well as lower excitation energy, are envisaged to serve as an ideal candidate in the area of potential applications for chemosensors, dye-sensitized solar cells, flat panel displays, optics, new materials and biological sciences. Organic alkynes (poly-ynes), with extended or conjugatedπ-systems and rigid structure with linear geometry, have become a significant research area due to their novel electronic and physical properties and their potential applications in nanotechnology. Owing to the presence of unsaturated sp-hybridized carbon atoms, the alkynyl unit can serve as a versatile building block in the construction of alkynyl transition-metal complexes, not only throughσ-bonding but also viaπ-bonding interactions. By incorporation of linear alkynyl groups into luminescent transition-metal complexes, the alkynyl moiety with goodσ-donor,π-donor andπ-acceptor abilities is envisaged to tune or perturb the emission behaviors, including emission energy (color), intensity and lifetime by its role as an auxiliary ligand as well as to govern the emission origin from its direct involvement. This review summarizes recent efforts on the synthesis of luminescent rod-like alkynyl complexes with different classes of transition metals and details the effects of the introduction of alkynyl groups on the luminescence properties of the complexes.

  9. Tridentate Schiff base (ONO) transition metal complexes: Synthesis ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 128; Issue 7. Tridentate Schiff base (ONO) transition metal complexes: Synthesis, crystal structure, spectroscopic and larvicidal studies. SUNDARAMURTHY SANTHA LAKSHMI KANNAPPAN GEETHA P MAHADEVI. Regular Article Volume 128 Issue 7 July 2016 pp ...

  10. Volume variation of Gruneisen parameters of fcc transition metals

    Indian Academy of Sciences (India)


    ultrasonic measurements and melting of solids (Mulargia and Boschi 1978 .... Several studies in the past based on model pseudo- potential suggest ... Volume variation of fcc transition metals. 65. The present value for Cu is in good agreement with the experimental values. Also, the presently obtained value agrees well with ...

  11. Spin, Charge, and Bonding in Transition Metal Mono Silicides

    NARCIS (Netherlands)

    Marel, D. van der; Damascelli, A.; Schulte, K.; Menovsky, A. A.


    Published in: Physica B 244 (1998) 138-147 citations recorded in [Science Citation Index] Abstract: We review some of the relevant physical properties of the transition metal mono-silicides with the FeSi structure (CrSi, MnSi, FeSi, CoSi, NiSi, etc) and explore the relation between their structural

  12. Effect of transition metal dopants on the optical and magnetic ...

    Indian Academy of Sciences (India)


    Jun 2, 2015 ... This review discusses the recent developments in doped semiconductor nanocrystals with a special emphasis on the effect of dopant on the electronic structure of the host nanocrystals. The review focusses on 3 transition metal dopants with unique electronic structure making them receptive for dramatic ...

  13. On the thermodynamics of phase transitions in metal hydrides (United States)

    di Vita, Andrea


    Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier's principle of thermodynamics to a particular phase transition in TiH x , which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H+ ions and of the distance between adjacent H+ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H+ ions (`collective modes') increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H+ ions with collective modes makes a tiny suprathermal fraction of the H+ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.

  14. Covalent bonds against magnetism in transition metal compounds. (United States)

    Streltsov, Sergey V; Khomskii, Daniel I


    Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down in many cases, especially in 4d and 5d compounds. We argue that there is an important intersite effect-an orbital-selective formation of covalent metal-metal bonds that leads to an "exclusion" of corresponding electrons from the magnetic subsystem, and thus strongly affects magnetic properties of the system. This effect is especially prominent for noninteger electron number, when it results in suppression of the famous double exchange, the main mechanism of ferromagnetism in transition metal compounds. We study this mechanism analytically and numerically and show that it explains magnetic properties of not only several 4d-5d materials, including Nb2O2F3 and Ba5AlIr2O11, but can also be operative in 3d transition metal oxides, e.g., in CrO2 under pressure. We also discuss the role of spin-orbit coupling on the competition between covalency and magnetism. Our results demonstrate that strong intersite coupling may invalidate the standard single-site starting point for considering magnetism, and can lead to a qualitatively new behavior.

  15. Voltage- and current-activated metal–insulator transition in VO2-based electrical switches: a lifetime operation analysis

    Directory of Open Access Journals (Sweden)

    Aurelian Crunteanu, Julien Givernaud, Jonathan Leroy, David Mardivirin, Corinne Champeaux, Jean-Christophe Orlianges, Alain Catherinot and Pierre Blondy


    Full Text Available Vanadium dioxide is an intensively studied material that undergoes a temperature-induced metal–insulator phase transition accompanied by a large change in electrical resistivity. Electrical switches based on this material show promising properties in terms of speed and broadband operation. The exploration of the failure behavior and reliability of such devices is very important in view of their integration in practical electronic circuits. We performed systematic lifetime investigations of two-terminal switches based on the electrical activation of the metal–insulator transition in VO2 thin films. The devices were integrated in coplanar microwave waveguides (CPWs in series configuration. We detected the evolution of a 10 GHz microwave signal transmitted through the CPW, modulated by the activation of the VO2 switches in both voltage- and current-controlled modes. We demonstrated enhanced lifetime operation of current-controlled VO2-based switching (more than 260 million cycles without failure compared with the voltage-activated mode (breakdown at around 16 million activation cycles. The evolution of the electrical self-oscillations of a VO2-based switch induced in the current-operated mode is a subtle indicator of the material properties modification and can be used to monitor its behavior under various external stresses in sensor applications.

  16. Field-tuned superconductor–insulator transitions and Hall resistance in thin polycrystalline MoN films (United States)

    Makise, Kazumasa; Ichikawa, Fusao; Asano, Takayuki; Shinozaki, Bunju


    We report on the superconductor–insulator transitions (SITs) of disordered molybdenum nitride (MoN) thin films on (1 0 0) MgO substrates as a function of the film thickness and magnetic fields. The T c of the superconducting MoN films, which exhibit a sharp superconducting transition, monotonically decreases as the normal state R sq increases with a decreasing film thickness. For several films with different thicknesses, we estimate the critical field H c and the product zν  ≃  0.6 of the dynamical exponent z and the correlation length exponent ν using a finite scaling analysis. The value of this product can be explained by the (2  +  1) XY model. We found that the Hall resistance ΔR xy (H) is maximized when the magnetic field satisfies H HP(T) \\propto |1  ‑  T/T C0| in the superconducting state and also in the normal states owning to the superconducting fluctuation corresponding to the ghost critical magnetic field. We measured the Hall conductivity δσ xy (H)  =  σ xy (H)  ‑  σ xyn and fit the Gaussian approximation theory for δσ xy (H) to the experimental data. Agreement between the data and the theory beyond H c suggests the survival of the Cooper pair in the insulating region of the SIT.

  17. Empirical prediction of optical transitions in metallic armchair SWCNTs

    Directory of Open Access Journals (Sweden)

    G. R. Ahmed Jamal


    Full Text Available In this work, a quick and effective method to calculate the second and third optical transition energies of metallic armchair single-wall carbon nanotubes (SWCNT is presented. In this proposed method, the transition energy of any armchair SWCNT can be predicted directly by knowing its one chiral index as both of its chiral indices are same. The predicted results are compared with recent experimental data and found to be accurate over a wide diameter range from 2 to 4.8 nm. The empirical equation proposed here is also compared with that proposed in earlier works. The proposed way may help the research works or applications where information of optical transitions of armchair metallic nanotubes is needed.

  18. Large area compatible broadband superabsorber surfaces in the VIS-NIR spectrum utilizing metal-insulator-metal stack and plasmonic nanoparticles. (United States)

    Dereshgi, Sina Abedini; Okyay, Ali Kemal


    Plasmonically enhanced absorbing structures have been emerging as strong candidates for photovoltaic (PV) devices. We investigate metal-insulator-metal (MIM) structures that are suitable for tuning spectral absorption properties by modifying layer thicknesses. We have utilized gold and silver nanoparticles to form the top metal (M) region, obtained by dewetting process compatible with large area processes. For the middle (I) and bottom (M) layers, different dielectric materials and metals are investigated. Optimum MIM designs are discussed. We experimentally demonstrate less than 10 percent reflection for most of the visible (VIS) and near infrared (NIR) spectrum. In such stacks, computational analysis shows that the bottom metal is responsible for large portion of absorption with a peak of 80 percent at 1000 nm wavelength for chromium case.

  19. Using microtherm microporous insulation in smelter applications (United States)

    MacKenzie, Iain


    Microtherm is effective in reducing shell temperatures in confined spaces where compression is severe and much insulation is required. This material can prove beneficial for applications such as cement and lime rotary kiln transition and hot zones; copper converters and anode furnaces; steel and iron ladles, tundishes, RH vessels, and blast furnaces; and aluminum filter boxes, runners, and metal transporters.

  20. Transition Metal d-Orbital Splitting Diagrams: An Updated Educational Resource for Square Planar Transition Metal Complexes (United States)

    Bo¨rgel, Jonas; Campbell, Michael G.; Ritter, Tobias


    The presentation of d-orbital splitting diagrams for square planar transition metal complexes in textbooks and educational materials is often inconsistent and therefore confusing for students. Here we provide a concise summary of the key features of orbital splitting diagrams for square planar complexes, which we propose may be used as an updated…

  1. Alkali metal ion templated transition metal formate framework materials: synthesis, crystal structures, ion migration, and magnetism. (United States)

    Eikeland, Espen; Lock, Nina; Filsø, Mette; Stingaciu, Marian; Shen, Yanbin; Overgaard, Jacob; Iversen, Bo Brummerstedt


    Four transition metal formate coordination polymers with anionic frameworks, namely, Na[Mn(HCOO)3], K[Mn(HCOO)3], Na2[Cu3(HCOO)8], and K2[Cu5(HCOO)12], were synthesized using a mild solution chemistry approach. Multitemperature single-crystal (100-300 K) and powder X-ray diffraction studies of the compounds reveal structures of large diversity ranging from cubic chiral Na-Mn formate to triclinic Na-Cu formate. The structural variety is caused by the nature of the transition metals, the alkali metal ion templation, and the versatility of the formate group, which offers metal-metal coordination through three different O-C-O bridging modes (syn-syn, syn-anti, anti-anti) in addition to metal-metal bridging via a single oxygen atom. The two manganese(II) compounds contain mononuclear, octahedrally coordinated moieties, but the three-dimensional connectivity between the manganese octahedra is very different in the two structures. The two copper frameworks, in contrast, consist of binuclear and mononuclear moieties (Na-Cu formate) and trinuclear and mononuclear moieties (K-Cu formate), respectively. Procrystal electron density analysis of the compounds indicates one-dimensional K(+)-ion conductivity in K-Mn and K-Cu, and the nature of the proposed potassium ion migration is compared with results from similar analysis on known Na(+) and K(+) ion conductors. K-Mn and Na-Mn were tested as cathode materials, but this resulted in poor reversibility due to low conductivity or structural collapse. The magnetic properties of the compounds were studied by vibrating sample magnetometric measurements, and their thermal stabilities were determined by thermogravimetric analysis and differential thermal analysis. Despite structural differences, the metal formates that contain the same transition metal have similar magnetic properties and thermal decomposition pathways, that is, the nature of the transition metal controls the compound properties.

  2. Optimal Shell Thickness of Metal@Insulator Nanoparticles for Net Enhancement of Photogenerated Polarons in P3HT Films. (United States)

    Goh, Wei-Peng; Williams, Evan L; Yang, Ren-Bin; Koh, Wee-Shing; Mhaisalkar, Subodh; Ooi, Zi-En


    Embedding metal nanoparticles in the active layer of organic solar cells has been explored as a route for improving charge carrier generation, with localized field enhancement as a proposed mechanism. However, embedded metal nanoparticles can also act as charge recombination sites. To suppress such recombination, the metal nanoparticles are commonly coated with a thin insulating shell. At the same time, this insulating shell limits the extent that the localized enhanced electric field influences charge generation in the organic medium. It is presumed that there is an optimal thickness which maximizes field enhancement effects while suppressing recombination. Atomic Layer Deposition (ALD) was used to deposit Al2O3 layers of different thicknesses onto silver nanoparticles (Ag NPs), in a thin film of P3HT. Photoinduced absorption (PIA) spectroscopy was used to study the dependence of the photogenerated P3HT(+) polaron population on the Al2O3 thickness. The optimal thickness was found to be 3-5 nm. This knowledge can be further applied in the design of metal nanoparticle-enhanced solar cells.

  3. Electrical analysis of high dielectric constant insulator and metal gate metal oxide semiconductor capacitors on flexible bulk mono-crystalline silicon

    KAUST Repository

    Ghoneim, Mohamed T.


    We report on the electrical study of high dielectric constant insulator and metal gate metal oxide semiconductor capacitors (MOSCAPs) on a flexible ultra-thin (25 μm) silicon fabric which is peeled off using a CMOS compatible process from a standard bulk mono-crystalline silicon substrate. A lifetime projection is extracted using statistical analysis of the ramping voltage (Vramp) breakdown and time dependent dielectric breakdown data. The obtained flexible MOSCAPs operational voltages satisfying the 10 years lifetime benchmark are compared to those of the control MOSCAPs, which are not peeled off from the silicon wafer. © 2014 IEEE.

  4. Ab initio modelling of transition metals in diamond

    International Nuclear Information System (INIS)

    Watkins, M; Mainwood, A


    Transition metals (TM) from the first transition series are commonly used as solvent catalysts in the synthesis of diamond by high pressure, high temperature processes. Ab initio calculations on these metals, in finite clusters of tetrahedrally coordinated carbon, enable us to investigate trends in their stability and properties. By carrying out systematic studies of interstitial, substitutional and semi-vacancy TM defects, we show that the electronic structure of the TMs is complicated by the presence of 'dangling bonds' when the TM disrupts the crystal lattice: interstitial defects conform to the Ludwig-Woodbury (LW) model, whilst substitutional and semi-vacancy defects move from approximating the LW model early in the transition series to approaching the vacancy model for the heavier metals. Multi-configurational self-consistent field methods allow genuine many-electron states to be modelled; for neutral interstitial, and all substitutional TMs, the crystal fields are found to exceed the exchange energies in strength. Consequently, low spin states are found for these defects. We find substitutional defects to be the most stable, but that semi-vacancy TMs are very similar in energy to the substitutional defects late in the transition series; interstitial defects are only metastable in diamond. Given appropriate charge compensators neutral and positively charged interstitial TM defects were stable, while negatively charged species appeared to be strongly disfavoured

  5. Measuring the lateral charge-carrier mobility in metal-insulator-semiconductor capacitors via Kelvin-probe. (United States)

    Milotti, Valeria; Pietsch, Manuel; Strunk, Karl-Philipp; Melzer, Christian


    We report a Kelvin-probe method to investigate the lateral charge-transport properties of semiconductors, most notably the charge-carrier mobility. The method is based on successive charging and discharging of a pre-biased metal-insulator-semiconductor stack by an alternating voltage applied to one edge of a laterally confined semiconductor layer. The charge carriers spreading along the insulator-semiconductor interface are directly measured by a Kelvin-probe, following the time evolution of the surface potential. A model is presented, describing the device response for arbitrary applied biases allowing the extraction of the lateral charge-carrier mobility from experimentally measured surface potentials. The method is tested using the organic semiconductor poly(3-hexylthiophene), and the extracted mobilities are validated through current voltage measurements on respective field-effect transistors. Our widely applicable approach enables robust measurements of the lateral charge-carrier mobility in semiconductors with weak impact from the utilized contact materials.

  6. Measuring the lateral charge-carrier mobility in metal-insulator-semiconductor capacitors via Kelvin-probe (United States)

    Milotti, Valeria; Pietsch, Manuel; Strunk, Karl-Philipp; Melzer, Christian


    We report a Kelvin-probe method to investigate the lateral charge-transport properties of semiconductors, most notably the charge-carrier mobility. The method is based on successive charging and discharging of a pre-biased metal-insulator-semiconductor stack by an alternating voltage applied to one edge of a laterally confined semiconductor layer. The charge carriers spreading along the insulator-semiconductor interface are directly measured by a Kelvin-probe, following the time evolution of the surface potential. A model is presented, describing the device response for arbitrary applied biases allowing the extraction of the lateral charge-carrier mobility from experimentally measured surface potentials. The method is tested using the organic semiconductor poly(3-hexylthiophene), and the extracted mobilities are validated through current voltage measurements on respective field-effect transistors. Our widely applicable approach enables robust measurements of the lateral charge-carrier mobility in semiconductors with weak impact from the utilized contact materials.

  7. Cross-linking proteins with bimetallic tetracarboxylate compounds of transition metals (United States)

    Kostic, N.M.; Chen, J.


    Stable cross-linked complexes of transition-metal tetracarboxylates and proteins are formed. The preferred transition-metal is rhodium. The protein may be collagen or an enzyme such as a proteolytic enzyme. No Drawings

  8. Conductive transition metal oxide nanostructured electrochromic material and optical switching devices constructed thereof

    Energy Technology Data Exchange (ETDEWEB)

    Mattox, Tracy M.; Koo, Bonil; Garcia, Guillermo; Milliron, Delia J.; Trizio, Luca De; Dahlman, Clayton


    An electrochromic device includes a nanostructured transition metal oxide bronze layer that includes one or more transition metal oxide and one or more dopant, a solid state electrolyte, and a counter electrode. The nanostructured transition metal oxide bronze selectively modulates transmittance of near-infrared (NIR) spectrum and visible spectrum radiation as a function of an applied voltage to the device.

  9. The 1s x-ray absorption pre-edge structures in transition metal oxides

    NARCIS (Netherlands)

    de Groot, Frank|info:eu-repo/dai/nl/08747610X; Vanko, Gyoergy; Glatzel, Pieter


    We develop a general procedure to analyse the pre-edges in 1s x-ray absorption near edge structure (XANES) of transition metal oxides and coordination complexes. Transition metal coordination complexes can be described from a local model with one metal ion. The 1s 3d quadrupole transitions are

  10. Marrying Excitons and Plasmons in Monolayer Transition-Metal Dichalcogenides (United States)

    Van Tuan, Dinh; Scharf, Benedikt; Žutić, Igor; Dery, Hanan


    Just as photons are the quanta of light, plasmons are the quanta of orchestrated charge-density oscillations in conducting media. Plasmon phenomena in normal metals, superconductors, and doped semiconductors are often driven by long-wavelength Coulomb interactions. However, in crystals whose Fermi surface is comprised of disconnected pockets in the Brillouin zone, collective electron excitations can also attain a shortwave component when electrons transition between these pockets. In this work, we show that the band structure of monolayer transition-metal dichalcogenides gives rise to an intriguing mechanism through which shortwave plasmons are paired up with excitons. The coupling elucidates the origin for the optical sideband that is observed repeatedly in monolayers of WSe2 and WS2 but not understood. The theory makes it clear why exciton-plasmon coupling has the right conditions to manifest itself distinctly only in the optical spectra of electron-doped tungsten-based monolayers.

  11. Exotic topological insulator states and topological phase transitions in Sb2Se3-Bi2Se3 heterostructures

    KAUST Repository

    Zhang, Qianfan


    Topological insulator is a new state of matter attracting tremendous interest due to its gapless linear dispersion and spin momentum locking topological states located near the surface. Heterostructures, which have traditionally been powerful in controlling the electronic properties of semiconductor devices, are interesting for topological insulators. Here, we studied the spatial distribution of the topological state in Sb 2Se 3-Bi 2Se 3 heterostructures by first-principle simulation and discovered that an exotic topological state exists. Surprisingly, the state migrates from the nontrivial Bi 2Se 3 into the trivial Sb 2Se 3 region and spreads across the entire Sb 2Se 3 slab, extending beyond the concept of "surface" state while preserving all of the topological surface state characteristics. This unusual topological state arises from the coupling between different materials and the modification of electronic structure near Fermi energy. Our study demonstrates that heterostructures can open up opportunities for controlling the real-space distribution of the topological state and inducing quantum phase transitions between topologically trivial and nontrivial states. © 2012 American Chemical Society.

  12. Peruvian perovskite Between Transition-metal to PGM/PlatinumGroupMetal Catalytic Fusion (United States)

    Maksoed, Wh-


    Strongly correlated electronic materials made of simple building blocks, such as a transition-metal ion in an octahedral oxygen cage forming a perovskite structure- Dagotto & Tokura for examples are the high-temperature superconductivity & the CMR/Colossal Magnetoresistance . Helium-4 denotes from LC Case,ScD: "Catalytic Fusion of Deuterium into Helium-4"- 1998 dealt with gaseous D2- "contacted with a supported metallic catalyst at superatmospheric pressure". The catalyst is a platinum-group metal, at about 0.5% - 1% by weight, on activated C. Accompanies Stephen J Geier, 2010 quotes "transition metal complexes", the Energy thus produced is enormous, and because the deuterium is very cheap in the form of heavy water (less than US 1/g), the fuel cost is very low (seas &Deuteronomy to be eternally preserves. Heartfelt Gratitudes to HE. Mr. Prof. Ir. HANDOJO.

  13. Structure and properties of transition metal-metalloid glasses based on refractory metals

    International Nuclear Information System (INIS)

    Johnson, W.L.; Williams, A.R.


    The structure and properties of several new transition metal-metalloid (TM/sub 1-x/M/sub x/) metallic glasses based on refractory transition metals (e.g. Mo, W, Ru etc.) have been systemically investigated as a function of composition. The structure of the alloys has been investigated by x-ray diffraction methods and measurements of superconducting properties, electrical resistivity, density, hardness, and mechanical behavior were made. These data are used in developing a novel description of the structure of TM/sub 1-x/M/sub x/ glasses. The experimental evidence suggests that an ideal amorphous phase forms at a specific composition x/sub c/ and that this phase has a well defined atomic short range order. For metallic glasses having x x/sub c/. This novel picture can explain the variation of many properties of these glasses with metalloid concentration

  14. Examination of Solubility Models for the Determination of Transition Metals within Liquid Alkali Metals

    Directory of Open Access Journals (Sweden)

    Jeremy Isler


    Full Text Available The experimental solubility of transition metals in liquid alkali metal was compared to the modeled solubility calculated using various equations for solubility. These equations were modeled using the enthalpy calculations of the semi-empirical Miedema model and various entropy calculations. The accuracy of the predicted solubility compared to the experimental data is more dependent on which liquid alkali metal is being examined rather than the transition metal solute examined. For liquid lithium the calculated solubility by the model was generally larger than experimental values, while for liquid cesium the modeling solubility was significantly smaller than the experimental values. For liquid sodium, potassium, and rubidium the experimental solubilities were within the range calculated by this study. Few data approached the predicted temperature dependence of solubility and instead most data exhibited a less pronounced temperature dependence.

  15. The dynamic behavior of the exohedral transition metal complexes ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 7. The dynamic behavior of the exohedral transition metal complexes of B₄₀ : η⁶- and η⁷-B₄₀Cr(CO) ₃ and Cr(CO) ₃η⁷-B₄η₀-Cr(CO) ₃. NAIWRIT KARMODAK ELUVATHINGAL D JEMMIS. REGULAR ARTICLE Volume 129 Issue 7 July 2017 pp ...

  16. Liquid state properties of certain noble and transition metals

    International Nuclear Information System (INIS)

    Bhuiyan, G.M.; Rahman, A.; Khaleque, M.A.; Rashid, R.I.M.A.; Mujibur Rahman, S.M.


    Certain structural, thermodynamic and atomic transport properties of a number of liquid noble and transition metals are reported. The underlying theory combines together a simple form of the N-body potential and the thermodynamically self-consistent variational modified hypernetted chain (VMHNC) theory of liquid. The static structure factors calculated by using the VMHNC resemble the hard sphere (HS) values. Consequently the HS model is used to calculate the thermodynamic properties viz. specific heat, entropy, isothermal compressibility and atomic transport properties. (author)

  17. Thermomagnetic marking of rare-earth-transition-metal thin films (United States)

    Bartholomeusz, Brian Josef


    Analytical derivation of temperature profiles in laser-irradiated thin-film structures is hindered by the nature of the heat source terms and by the geometrical complexity that often exists. This study utilizes a combined Laplace-transform-Fourier-integral method to obtain approximate solutions for a number of simple cases. The results are used to study the thermomagnetic marking process in rare-earth-transition-metal (RE-TM) thin films, and the predictions are compared with experimental observations.

  18. Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.


    Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....

  19. Magnetic properties of fcc Ni-based transition metal alloy

    Czech Academy of Sciences Publication Activity Database

    Kudrnovský, Josef; Drchal, Václav


    Roč. 100, č. 9 (2009), s. 1193-1196 ISSN 1862-5282 R&D Projects: GA MŠk OC 150; GA AV ČR IAA100100616 Institutional research plan: CEZ:AV0Z10100520 Keywords : transition metal alloys * Ni-based * pair exchange interactions * Curie temperatures * renormalized RPA Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.862, year: 2009

  20. Insulator-semimetallic transition in quasi-1D charged impurity-infected armchair boron-nitride nanoribbons (United States)

    Dinh Hoi, Bui; Yarmohammadi, Mohsen


    We address control of electronic phase transition in charged impurity-infected armchair-edged boron-nitride nanoribbons (ABNNRs) with the local variation of Fermi energy. In particular, the density of states of disordered ribbons produces the main features in the context of pretty simple tight-binding model and Green's functions approach. To this end, the Born approximation has been implemented to find the effect of π-band electron-impurity interactions. A modulation of the π-band depending on the impurity concentrations and scattering potentials leads to the phase transition from insulator to semimetallic. We present here a detailed physical meaning of this transition by studying the treatment of massive Dirac fermions. From our findings, it is found that the ribbon width plays a crucial role in determining the electronic phase of disordered ABNNRs. The obtained results in controllable gap engineering are useful for future experiments. Also, the observations in this study have also fueled interest in the electronic properties of other 2D materials.

  1. Metal-enclosed air-insulated switchgear for the use in railway power supply systems; Metallgekapselte, luftisolierte Bahnstromschaltanlagen

    Energy Technology Data Exchange (ETDEWEB)

    Loenard, D.; Northe, J. [Balfour Beatty Rail GmbH Power Systems, Offenbach (Germany); Blecher, U. [Ritter Starkstromtechnik GmbH und Co. KG, Geschaeftsbereich Anlagen und Werk fuer Schaltanlagen, Olfen (Germany)


    The medium-voltage switchgear of type TracFeed TAC has been designed for the use in standard, booster (1AC) and autotransformer (2AC) 25 kV 50/60 Hz railway power supply systems. This railway switchgear is of metal-enclosed air-insulated design and has been type tested according to EN 62271-200. It meets the special requirements described in the paper entitled ''Requirements on medium-voltage switchgear for railway power supply'' published in No. 10/2003. (orig.)

  2. Unified analytical threshold voltage model for non-uniformly doped dual metal gate fully depleted silicon-on-insulator MOSFETs (United States)

    Rao, Rathnamala; Katti, Guruprasad; Havaldar, Dnyanesh S.; DasGupta, Nandita; DasGupta, Amitava


    The paper describes the unified analytical threshold voltage model for non-uniformly doped, dual metal gate (DMG) fully depleted silicon-on-insulator (FDSOI) MOSFETs based on the solution of 2D Poisson's equation. 2D Poisson's equation is solved analytically for appropriate boundary conditions using separation of variables technique. The solution is then extended to obtain the threshold voltage of the FDSOI MOSFET. The model is able to handle any kind of non-uniform doping, viz. vertical, lateral as well as laterally asymetric channel (LAC) profile in the SOI film in addition to the DMG structure. The analytical results are validated with the numerical simulations using the device simulator MEDICI.

  3. Fully Parameter-Free Calculation of Optical Spectra for Insulators, Semiconductors, and Metals from a Simple Polarization Functional. (United States)

    Berger, J A


    We present a fully parameter-free density-functional approach for the accurate description of optical absorption spectra of insulators, semiconductors, and metals. We show that this can be achieved within time-dependent current-density-functional theory using a simple dynamical polarization functional. We derive this functional from physical principles that govern optical spectra. Our method is truly predictive because not a single parameter is used. In particular, we do not use an ad hoc material-dependent broadening parameter to compare theory to experiment as is usually done. Our approach is numerically efficient; the cost equals that of a calculation within the random-phase approximation.

  4. Spatiotemporal Analysis of Heavy Metal Water Pollution in Transitional China

    Directory of Open Access Journals (Sweden)

    Huixuan Li


    Full Text Available China’s socioeconomic transitions have dramatically accelerated its economic growth in last three decades, but also companioned with continuous environmental degradation. This study will advance the knowledge of heavy metal water pollution in China from a spatial–temporal perspective. Specifically, this study addressed the following: (1 spatial patterns of heavy metal water pollution levels were analyzed using data of prefecture-level cities from 2004 to 2011; and (2 spatial statistical methods were used to examine the underlying socioeconomic and physical factors behind water pollution including socioeconomic transitions (industrialization, urbanization, globalization and economic development, and environmental characteristic (natural resources, hydrology and vegetation coverage. The results show that only Cr pollution levels increased over the years. The individual pollution levels of the other four heavy metals, As, Cd, Hg, and Pb, declined. High heavy metal water pollution levels are closely associated with both anthropogenic activities and physical environments, in particular abundant mineral resources and industrialization prosperity. On the other hand, economic development and urbanization play important roles in controlling water pollution problems. The analytical findings will provide valuable information for policy-makers to initiate and adjust protocols and strategies for protecting water sources and controlling water pollution; thus improving the quality of living environments.

  5. Quantum-based Atomistic Simulation of Transition Metals

    International Nuclear Information System (INIS)

    Moriarty, J A; Benedict, L X; Glosli, J N; Hood, R Q; Orlikowski, D A; Patel, M V; Soderlind, P; Streitz, F H; Tang, M; Yang, L H


    First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in d-electron transition metals within density-functional quantum mechanics. In mid-period bcc metals, where multi-ion angular forces are important to structural properties, simplified model GPT or MGPT potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect and mechanical properties at both ambient and extreme conditions of pressure and temperature. Recent algorithm improvements have also led to a more general matrix representation of MGPT beyond canonical bands allowing increased accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed, and the current development of temperature-dependent potentials

  6. Density functional theory studies of transition metal nanoparticles in catalysis

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua


    Periodic Density Functional Theory calculations are capable of providing powerful insights into the structural, energetics, and electronic phenomena that underlie heterogeneous catalysis on transition metal nanoparticles. Such calculations are now routinely applied to single crystal metal surfaces...... and to subnanometer metal clusters. Descriptions of catalysis on truly nanosized structures, however, are generally not as well developed. In this talk, I will illustrate different approaches to analyzing nanocatalytic phenomena with DFT calculations. I will describe case studies from heterogeneous catalysis...... and electrocatalysis, in which single crystal models are combined with Wulff construction-based ideas to produce descriptions of average nanocatalyst behavior. Then, I will proceed to describe explicitly DFT-based descriptions of catalysis on truly nanosized particles (

  7. Determination of Surface Properties of Liquid Transition Metals

    International Nuclear Information System (INIS)

    Korkmaz, S. D.


    Certain surface properties of liquid simple metals are reported. Using the expression derived by Gosh and coworkers we investigated the surface entropy of liquid transition metals namely Fe, Co and Ni. We have also computed surface tensions of the metals concerned. The pair distribution functions are calculated from the solution of Ornstein-Zernike integral equation with Rogers-Young closure using the individual version of the electron-ion potential proposed by Fioalhais and coworkers which was originally developed for solid state. The predicted values of surface tension and surface entropy are in very good agreement with available experimental data. The present study results show that the expression derived by Gosh and coworkers is very useful for the surface entropy by using Fioalhais pseudopotential and Rogers-Young closure

  8. Thermophysical Property Measurements of Silicon-Transition Metal Alloys (United States)

    Banish, R. Michael; Erwin, William R.; Sansoucie, Michael P.; Lee, Jonghyun; Gave, Matthew A.


    Metals and metallic alloys often have high melting temperatures and highly reactive liquids. Processing reactive liquids in containers can result in significant contamination and limited undercooling. This is particularly true for molten silicon and it alloys. Silicon is commonly termed "the universal solvent". The viscosity, surface tension, and density of several silicon-transition metal alloys were determined using the Electrostatic Levitator system at the Marshall Space Flight Center. The temperature dependence of the viscosity followed an Arrhenius dependence, and the surface tension followed a linear temperature dependence. The density of the melts, including the undercooled region, showed a linear behavior as well. Viscosity and surface tension values were obtain for several of the alloys in the undercooled region.

  9. Synthesis and structural, magnetic, thermal, and transport properties of several transition metal oxides and aresnides

    Energy Technology Data Exchange (ETDEWEB)

    Das, Supriyo [Iowa State Univ., Ames, IA (United States)


    Oxide compounds containing the transition metal vanadium (V) have attracted a lot of attention in the field of condensed matter physics owing to their exhibition of interesting properties including metal-insulator transitons, structural transitions, ferromagnetic and an- tiferromagnetic orderings, and heavy fermion behavior. Binary vanadium oxides VnO2n-1 where 2 ≤ n ≤ 9 have triclinic structures and exhibit metal-insulator and antiferromagnetic transitions.[1–6] The only exception is V7O13 which remains metallic down to 4 K.[7] The ternary vanadium oxide LiV2O4 has the normal spinel structure, is metallic, does not un- dergo magnetic ordering and exhibits heavy fermion behavior below 10 K.[8] CaV2O4 has an orthorhombic structure[9, 10] with the vanadium spins forming zigzag chains and has been suggested to be a model system to study the gapless chiral phase.[11, 12] These provide great motivation for further investigation of some known vanadium compounds as well as to ex- plore new vanadium compounds in search of new physics. This thesis consists, in part, of experimental studies involving sample preparation and magnetic, transport, thermal, and x- ray measurements on some strongly correlated eletron systems containing the transition metal vanadium. The compounds studied are LiV2O4, YV4O8, and YbV4O8. The recent discovery of superconductivity in RFeAsO1-xFx (R = La, Ce, Pr, Gd, Tb, Dy, Sm, and Nd), and AFe2As2 (A = Ba, Sr, Ca, and Eu) doped with K, Na, or Cs at the A site with relatively high Tc has sparked tremendous activities in the condensed matter physics community and a renewed interest in the area of superconductivity as occurred following the discovery of the layered cuprate high Tc superconductors in 1986. To discover more supercon- ductors

  10. Exposing "Bright" Metals: Promising Advances in Photoactivated Anticancer Transition Metal Complexes. (United States)

    Bjelosevic, Aleksandra; Pages, Benjamin J; Spare, Lawson K; Deo, Krishant M; Ang, Dale L; Aldrich-Wright, Janice R


    Photodynamic therapy (PDT) is an increasingly prominent field in anticancer research. PDT agents are typically nontoxic in the absence of light and can be stimulated with nonionising irradiation to "activate" their cytotoxic effect. Photosensitzers are not classified as chemotherapy drugs although it is advantageous to control the toxicity of a drug through localised irradiation allowing for selective treatment. Transition metals are an extremely versatile class of compounds with various unique properties such as oxidation state, coordination number, redox potential and molecular geometry that can be tailored for specific uses. This makes them excellent PDT candidates as their properties can be manipulated to absorb a specific range of light wavelengths, cross cellular membranes or target specific sites in vitro. This article reviews recent advances in transition metal PDT agents, with a focus on structural scaffolds from which several metal complexes in a series are synthesised, as well as their in vitro cytotoxicity in the presence or absence of irradiation. The success of clinical photoactive agents such as Photofrin® has inspired the development of thousands of potential PDT agents. Transition metal complexes in particular have demonstrated excellent versatility and diversity when it comes to PDT for treatment of invasive cancers. This review has highlighted some of the many recent advances of transition metal PDT agents with high in vitro and in vivo phototoxic activity. Photoactive transition metal complexes have proven their potential due to their inherent physicochemical variety, allowing them to fill a niche in the PDT world. Copyright© Bentham Science Publishers; For any queries, please email at

  11. Synthesis of Mg2FeH6 containing as additives transition metal and transition metal fluorides or carbon

    International Nuclear Information System (INIS)

    Zepon, G.; Leiva, D.R.; Botta, W.J.


    The Mg 2 FeH 6 is a promising way of storing hydrogen in solid form, composed by elements that have low cost and, at the same time, high volumetric storage density: 150 kg H 2 /m 3 . However, this complex hydride is not easily synthesized as a single phase material. The hydrogen sorption high temperature and slow kinetics are the major limitations for the practical application of the Mg 2 FeH 6 as a hydrogen storage material. Little is known about the effects of additives in Mg 2 FeH 6 based nanocomposites in this work were synthesized by MAE under hydrogen atmosphere nanocomposites based on Mg 2 FeH 6 containing additives as transition metals, transition metals fluorides of transition metals or carbon, in order to obtain information on the effects of the selected additives. To this end, we used characterization techniques such as XRD, SEM and TEM, thermal analysis by DSC and curves made in apparatus PCT.(author)

  12. The nature of transition-metal-oxide surfaces (United States)

    Henrich, V. E.

    The surfaces of the 3d-transition-metal oxides form a rich and important system in which to study the effects of atomic geometry, ligand coordination and d-orbital population on surface electronic structure and chemisorption. This article considers the properties of those surfaces in terms of the types of surface structures that can exist, including steps and point defects, and their relation to the experimental data that is available for well characterized, single-crystal surfaces. The electronic structure of nearly perfect surfaces is very similar to that of the bulk for many of the oxides that have been studied; atoms at step sites also appear to have properties similar to those of atoms on terraces. Point defects are often associated with surfaces 0 vacancies and attendant transfer of electrons to adjacent metal cations. Those cations are poorly screened from each other, and the excess charge is presumably shared between two or more cations having reduced ligand coordination. Point defects are generally more active for chemisorption than are perfect surfaces, however for Ti 2O 3 and V 2O 3, whose cations have 3d 1 and 3d 2 electronic configurations respectively, the cleaved (047) surface is more active than are surfaces having a high density of defects. The chemisorption behavior of both nearly perfect and defect surfaces of 3d-transition-metal oxides varies widely from one material to another, and it is suggestive to correlate this with cation d-orbital population. However, too few oxides have yet been studied to draw any firm conclusions. Additional theoretical work on perfect surfaces, defects and chemisorption is also necessary in order to gain a more complete understanding of transition-metal-oxide surfaces.

  13. General observation of the memory effect in metal-insulator-ITO structures due to indium diffusion

    International Nuclear Information System (INIS)

    Wu, Xiaojing; Xu, Huihua; Zhao, Ni; Wang, Yu; Rogach, Andrey L; Shen, Yingzhong


    Resistive random access memory (RRAM) devices based on metal oxides, organic molecules and inorganic nanocrystals (NCs) have been studied extensively in recent years. Different memory switching mechanisms have been proposed and shown to be closely related to the device architectures. In this work, we demonstrate that the use of an ITO/active layer/InGa structure can yield nonvolatile resistive memory behavior in a variety of active materials, including polymers, organic small molecules, and colloidal NCs. Through the electrode material and thickness-dependent study, we show that the ON state of the devices is associated with filamentary conduction induced by indium diffusion from the ITO electrode, occurring mostly within around 40–50 nm from the ITO/active layer interface. A negative differential resistance (NDR) regime is observed during transition from the ON to OFF state, and is explained by the space charge limited current (SCLC) effect due to hole injection at the ITO/active layer interface. Our study reveals the impact of indium diffusion at the ITO/active layer interface, an important factor that should be taken into consideration when designing thin printed RRAM devices. (paper)

  14. Coherent orbital waves during an Ultrafast Photo-induced Isulator-metal Transition in a magnetoresistive manganite

    Energy Technology Data Exchange (ETDEWEB)

    ULTRAS-INFM-CNR Dipartimento di Fisica, Politecnico di Milano, Italy; Department of Physics - Cavalleri Group, Clarendon Laboratory, University of Oxford, U.K.; Correlated Electron Research Center, Tsukuba, Japan; Schoenlein, Robert William; Polli, D.; Rini, M.; Wall, S.; Schoenlein, R.W.; Tomioka, Y.; Tokura, Y.; Cerullo, G.; Cavalleri, A.


    Photo-excitation can drive strongly correlated electron insulators into competing conducting phases1,2, resulting in giant and ultrafast changes of their electronic and magnetic properties. The underlying non-equilibrium dynamics involve many degrees of freedom at once, whereby sufficiently short optical pulses can trigger the corresponding collective modes of the solid along temporally coherent pathways. The characteristic frequencies of these modes range between the few GHz of acoustic vibrations3 to the tens or even hundreds of THz for purely electronic excitations. Virtually all experiments so far have used 100 fs or longer pulses, detecting only comparatively slow lattice dynamics4,5. Here, we use sub-10-fs optical pulses to study the photo-induced insulator-metal transition in the magneto-resistive manganite Pr0.7Ca0.3MnO3. At room temperature, we find that the time-dependent pathway towards the metallic phase is accompanied by coherent 31 THz oscillations of the optical reflectivity, significantly faster than all lattice vibrations. These high-frequency oscillations are suggestive of coherent orbital waves6,7, crystal-field excitations triggered here by impulsive stimulated Raman scattering. Orbital waves are likely to be initially localized to the small polarons of this room-temperature manganite, coupling to other degrees of freedom at longer times, as photo-domains coalesce into a metallic phase.

  15. Numerical investigation of metal-semiconductor-insulator-semiconductor passivated hole contacts based on atomic layer deposited AlO x (United States)

    Ke, Cangming; Xin, Zheng; Ling, Zhi Peng; Aberle, Armin G.; Stangl, Rolf


    Excellent c-Si tunnel layer surface passivation has been obtained recently in our lab, using atomic layer deposited aluminium oxide (ALD AlO x ) in the tunnel layer regime of 0.9 to 1.5 nm, investigated to be applied for contact passivation. Using the correspondingly measured interface properties, this paper compares the theoretical collection efficiency of a conventional metal-semiconductor (MS) contact on diffused p+ Si to a metal-semiconductor-insulator-semiconductor (MSIS) contact on diffused p+ Si or on undoped n-type c-Si. The influences of (1) the tunnel layer passivation quality at the tunnel oxide interface (Q f and D it), (2) the tunnel layer thickness and the electron and hole tunnelling mass, (3) the tunnel oxide material, and (4) the semiconductor capping layer material properties are investigated numerically by evaluation of solar cell efficiency, open-circuit voltage, and fill factor.

  16. 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.

  17. Electrical conductivity in oxygen-deficient phases of transition metal oxides from first-principles calculations.

    Energy Technology Data Exchange (ETDEWEB)

    Bondi, Robert James; Desjarlais, Michael Paul; Thompson, Aidan Patrick; Brennecka, Geoffrey L.; Marinella, Matthew


    Density-functional theory calculations, ab-initio molecular dynamics, and the Kubo-Greenwood formula are applied to predict electrical conductivity in Ta2Ox (0 x 5) as a function of composition, phase, and temperature, where additional focus is given to various oxidation states of the O monovacancy (VOn; n=0,1+,2+). Our calculations of DC conductivity at 300K agree well with experimental measurements taken on Ta2Ox thin films and bulk Ta2O5 powder-sintered pellets, although simulation accuracy can be improved for the most insulating, stoichiometric compositions. Our conductivity calculations and further interrogation of the O-deficient Ta2O5 electronic structure provide further theoretical basis to substantiate VO0 as a donor dopant in Ta2O5 and other metal oxides. Furthermore, this dopant-like behavior appears specific to neutral VO cases in both Ta2O5 and TiO2 and was not observed in other oxidation states. This suggests that reduction and oxidation reactions may effectively act as donor activation and deactivation mechanisms, respectively, for VO0 in transition metal oxides.

  18. Incommmensurability and Unconventional Superconductor to Insulator Transition in the Hubbard Model with Bond-Charge Interaction (United States)

    Aligia, A. A.; Anfossi, A.; Arrachea, L.; Degli Esposti Boschi, C.; Dobry, A. O.; Gazza, C.; Montorsi, A.; Ortolani, F.; Torio, M. E.


    We determine the quantum phase diagram of the one-dimensional Hubbard model with bond-charge interaction X in addition to the usual Coulomb repulsion U>0 at half-filling. For large enough Xtransition to a spontaneously dimerized bond-ordered wave phase and then a charge transition to a novel phase in which the dominant correlations at large distances correspond to an incommensurate singlet superconductor.

  19. Fractional Mott insulator-to-superfluid transition of Bose-Hubbard model in a trimerized Kagomé optical lattice (United States)

    Chen, Qi-Hui; Li, Peng; Su, Haibin


    By generalizing the traditional single-site strong coupling expansion approach to a cluster one, we study the zero-temperature phase diagram of bosonic atoms in a trimerized Kagomé optical lattice. Some new features are present in this system. Due to the strong intra-trimer hopping interaction, there will be a new Mott insulator (MI), which is by definition incompressible but with a fractional filling per trimer. This is different from the traditional MI, which has an integral filling and originates only from the repulsive interaction between particles. We investigate the MI-to-superfluid transition and the nature of the fractional MI by calculating the critical exponents of phase transitions and the low-lying energy excitation spectra of quasiparticles (quasihole). We will show how the low-energy properties of this system can be understood qualitatively as a Bose-Hubbard model in triangular lattice from the point of view of the cluster strong coupling expansion. We also discuss how our results are related to experiment by studying the Bragg spectroscopy.

  20. Spin-exchange interaction between transition metals and metalloids in soft-ferromagnetic metallic glasses (United States)

    Das, Santanu; Choudhary, Kamal; Chernatynskiy, Aleksandr; Choi Yim, Haein; Bandyopadhyay, Asis K.; Mukherjee, Sundeep


    High-performance magnetic materials have immense industrial and scientific importance in wide-ranging electronic, electromechanical, and medical device technologies. Metallic glasses with a fully amorphous structure are particularly suited for advanced soft-magnetic applications. However, fundamental scientific understanding is lacking for the spin-exchange interaction between metal and metalloid atoms, which typically constitute a metallic glass. Using an integrated experimental and molecular dynamics approach, we demonstrate the mechanism of electron interaction between transition metals and metalloids. Spin-exchange interactions were investigated for a Fe-Co metallic glass system of composition [(Co1-x Fe x )0.75B0.2Si0.05]96Cr4. The saturation magnetization increased with higher Fe concentration, but the trend significantly deviated from simple rule of mixtures. Ab initio molecular dynamics simulation was used to identify the ferromagnetic/anti-ferromagnetic interaction between the transition metals and metalloids. The overlapping band-structure and density of states represent ‘Stoner type’ magnetization for the amorphous alloys in contrast to ‘Heisenberg type’ in crystalline iron. The enhancement of magnetization by increasing iron was attributed to the interaction between Fe 3d and B 2p bands, which was further validated by valence-band study.