Published June 4, 2001
| Version v1
Journal article
Modeling the Electronic Behavior of γ-LiV2 O5 : A Microscopic Study
Description
We determine the electronic structure of the one-dimensional spin-1/2 Heisenberg compound γ-LiV2O5 , which has two inequivalent vanadium ions, V(1) and V(2), via density-functional calculations. We find a relative V(1)-V(2) charge ordering of roughly 70:30. We discuss the influence of the charge ordering on the electronic structure and the magnetic behavior. We give estimates of the basic hopping matrix elements and compare with the most studied α#prime#-NaV 2O5
Additional details
Identifiers
- DOI
- 10.1103/PhysRevLett.86.5381;
- arXiv
- arXiv:cond-mat/0101282v3;
Publishing Information
- Journal Title
- Physical Review Letters
- Journal Volume
- 86
- Journal Issue
- 23
- Series
- The American Physical Society
- Journal Page Range
- p. 5381-5384
- ISSN
- 0031-9007
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 32055111
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- CRYSTAL LATTICES; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; HEISENBERG MODEL; LITHIUM COMPOUNDS; MATRIX ELEMENTS; VANADATES
- Descriptors DEC
- ALKALI METAL COMPOUNDS; CALCULATION METHODS; CRYSTAL MODELS; CRYSTAL STRUCTURE; MATHEMATICAL MODELS; OXYGEN COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; VANADIUM COMPOUNDS; VARIATIONAL METHODS
Optional Information
- Notes
- Othernumber: PRLTAO000086000023005381000001; 045123PRL
- Funding organization
- (United States)