Cluster calculations of the electronic d-states in VO2
TLDR
In this paper, an ab-initio cluster calculation of the electronic d-states in VO$sub 2$ has been made by using the selfconsistent statistical exchange multiple scattering method.Abstract:
An ab-initio cluster calculation of the electronic d-states in VO$sub 2$ has been made by using the self-consistent statistical exchange multiple scattering method. VO$sub 6$$sup 8-$ octaedron was used to represent the tetragonal phase, and a V$sub 2$O$sub 10$$sup 12-$ cluster with paired vanadium atoms was used for the monoclinic phase. Our results are in conflict with an explanation of the semiconducting gap in terms of simple distortion-induced band splitting. (FR)read more
Citations
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Evidence for a structurally-driven insulator-to-metal transition in VO 2 : A view from the ultrafast timescale
TL;DR: In this article, the authors apply ultrafast spectroscopy to establish a time-domain hierarchy between structural and electronic effects in a strongly correlated electron system, and they discuss the case of the model system, a prototypical nonmagnetic compound that exhibits cell doubling, charge localization, and a metal-insulator transition below 340 K.
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Role of electron-electron and electron-phonon interaction effects in the optical conductivity of VO2
TL;DR: In this article, the authors investigated the charge dynamics of the metal-insulator transition in the optical reflectivity measurements and found that a broad peak structure around $1.3 ω phantom{0.3em}{0ex}}\mathrm{eV} is observed.
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Electronic structure of VO2 studied by x-ray photoelectron and x-ray emission spectroscopies
Ernst Z. Kurmaev,V. M. Cherkashenko,Yu. M. Yarmoshenko,S. Bartkowski,Andrei Postnikov,Manfred Neumann,Laurent Duda,Jinghua Guo,Joseph Nordgren,V. A. Perelyaev,W. Reichelt +10 more
TL;DR: In this paper, the authors performed first-principles tight-binding LMTO band-structure calculations for monoclinic and tetragonal rutile phases and compared the densities of states (DOS) with the experimental data.
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Electronic Structures of Ti and V Oxides: Calculation of Valence Photoemission and Bremsstrahlung Isochromat Spectra
TL;DR: In this article, the authors calculated the valence photoemission and bremsstrahlung isochromat spectra for the MO 6 cluster model (M=Ti, V) and showed that the first ionization state and the lowest affinity state have considerable O 2 p character because of the large hopping matrix element between Ti (V) 3 d and O 2p orbitals.
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Experimental study of the electronic and lattice contributions to the VO2 transition
TL;DR: In this paper, the contributions of electronic and crystallographic components to the semiconductor → metal transition in VO2 have been estimated from resistivity, E.P.R., and calorimetric measurements of the electronic and thermodynamic properties of GaxV−xO2, where 0 < x < 0.0130.
References
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Oxides Which Show a Metal-to-Insulator Transition at the Neel Temperature
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The two components of the crystallographic transition in VO2
TL;DR: In this article, two distinguishable mechanisms of the monoclinic-to-tetragonal transition in VO 2 are identified: an antiferroelectric-toparaelectric transition at a temperature T t as well as a change from homopolar to metallic VV bonding at T t.
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Optical Properties of V O 2 between 0.25 and 5 eV
TL;DR: In this paper, the optical constants of V${\mathrm{O}}_{2} have been determined between 0.25 and 5 eV both below and above the semiconductor-metal transition temperature.
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Optical and transport properties of high quality crystals of V2O4 near the metallic transition temperature
Larry A. Ladd,William Paul +1 more
TL;DR: In this article, the dependence of the transition temperature and semiconducting resistivity upon uniaxial stress and hydrostatic pressure has been determined, and it was shown that V 2 O 4 has a change in resistivity of a factor of 10 5 at 339°K.
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Theory of semiconductor-to-metal transitions
TL;DR: In this paper, a general model for a semiconductor-to-metal transition is discussed, in which the energy gap between the valence and conduction bands decreases linearly with the number of electrons excited across the gap.