Published October 1978
| Version v1
Journal article
First principles calculation of the intra-atomic correlation energy in VO2
Creators
- 1. Paris-11 Univ., 91 - Orsay (France). Lab. de Physique des Solides
Description
A first principles computation of the Hubbard intra-atomic electronic Coulomb interaction parameter U is performed for the VO2 molecular cluster. The results confirm earlier suggestions that the metal-semiconductor transition in VO2 is driven by intra-atomic electron correlations of the Heitler-London type. (author)
Additional details
Publishing Information
- Journal Title
- Solid State Commun.
- Journal Volume
- 28
- Journal Issue
- 1
- Series
- Solid State Commun.
- Journal Page Range
- 133-135
- ISSN
- 0038-1098
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 10431482
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- COULOMB ENERGY; ELECTRON CORRELATION; ELECTRONIC STRUCTURE; HEITLER-LONDON THEORY; MATHEMATICAL MODELS; PHASE TRANSFORMATIONS; VANADIUM OXIDES
- Descriptors DEC
- CHALCOGENIDES; CORRELATIONS; ENERGY; OXIDES; OXYGEN COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; VANADIUM COMPOUNDS