Journal ArticleDOI
The crystal structure of V2O3 and (V0.962Cr0.0382)2O3 near the metal-insulator transition
TLDR
In this article, structural refinements of single crystals of V 2 O 3, and (V 0.962 Cr 0.038 ) 2 O3, by X-ray diffraction techniques show an increase in the short vanadium-vanadium distances at the transition, while the vanadiumoxygen distances remain essentially unchanged.About:
This article is published in Journal of Physics and Chemistry of Solids.The article was published on 1970-11-01. It has received 93 citations till now. The article focuses on the topics: Metal–insulator transition & Crystal structure.read more
Citations
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Journal ArticleDOI
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
Larry W. Finger,Robert M. Hazen +1 more
TL;DR: In this paper, the structural properties of corundum-type oxides have been determined at pressures up to 50 kbar by using simple bonding parameters to predict details of crystal structures under nonambient conditions.
Journal ArticleDOI
Electronic structure of Mott insulators
TL;DR: In this article, the Hartree-Fock approach is used to explain the properties of metal-insulators and other related phase transitions, as observed in V2O3 and several other materials.
Journal ArticleDOI
Mott-hubbard metal-insulator transition in paramagnetic V2O3: an LDA+DMFT(QMC) study.
TL;DR: In this paper, the electronic properties of paramagnetic materials were investigated by combining the local density approximation (LDA) with dynamical mean field theory (DMFT) and using quantum Monte Carlo simulations to solve the effective Anderson impurity model of DMFT.
Journal ArticleDOI
Realistic investigations of correlated electron systems with LDA + DMFT†
Karsten Held,I. A. Nekrasov,G. Keller,Volker Eyert,N. Blümer,A. K. McMahan,Richard T. Scalettar,Th. Pruschke,V. I. Anisimov,Dieter Vollhardt +9 more
TL;DR: In this paper, the basic ideas and the set-up of the LDA + DMFT(X) approach, where X is the method used to solve the dynamical mean-field theory (DMFT), are discussed.
Journal ArticleDOI
Systematics of the breakdown of Mott insulation in binary transition metal compounds
TL;DR: In this paper, an attempt has been made to illuminate the intricacies of the Mott transition as applicable to binary transition metal compounds, and the properties of materials close to either side of the transition are discussed.
References
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Journal ArticleDOI
Scattering factors computed from relativistic Dirac–Slater wave functions
D. T. Cromer,J. T. Waber +1 more
Journal ArticleDOI
Anomalous dispersion corrections computed from self-consistent field relativistic Dirac–Slater wave functions
Journal ArticleDOI
Refinement of theαAl2O3, Ti2O3, V2O3and Cr2O3structures*
R. E. Newnham,Y. M. de Haan +1 more
Journal ArticleDOI
The secondary extinction correction
TL;DR: In this article, it was shown that Darwin's formula for the secondary extinction correction, which has been universally accepted and extensively used, contains an appreciable error in the x-ray diffraction case.
Journal ArticleDOI
Refinement of the a Al2O3, Ti2O3, V2O3 and Cr2O3 structures
Ε. E. Newnham,Υ. M. De Haan +1 more
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