Published May 23, 1994
| Version v1
Journal article
VO2: Peierls or Mott-Hubbard? A view from band theory
Creators
- 1. Cavendish Laboratory, Madingley Road, Cambridge CB3 0HE (United Kingdom)
- 2. Department of Physics, State University of New York at Stony Brook, Stony Brook, New York 11794-3800 (United States)
Description
The electronic and structural properties of VO2 across its metal-insulator transition are studied using the local-density approximation. Band theory finds a monoclinic distorted ground state in good agreement with experiment, and an almost open gap to charge excitations. Although rigid criteria for distinguishing correlated from band insulators are not available, these findings suggest that VO2 may be more bandlike than correlated
Additional details
Publishing Information
- Journal Title
- Physical Review Letters
- Journal Volume
- 72
- Journal Issue
- 21
- Journal Page Range
- p. 3389-3392.
- ISSN
- 0031-9007
- CODEN
- PRLTAO
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 25057825
- Subject category
- S36: MATERIALS SCIENCE; S36: MATERIALS SCIENCE;
- Descriptors DEI
- CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; ENERGY GAP; GROUND STATES; LATTICE PARAMETERS; PHASE TRANSFORMATIONS; VANADIUM OXIDES; WAVE FUNCTIONS
- Descriptors DEC
- CHALCOGENIDES; ENERGY LEVELS; FUNCTIONS; OXIDES; OXYGEN COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; VANADIUM COMPOUNDS