Authors
Renata M Wentzcovitch, Werner W Schulz, Philip B Allen
Publication date
1994/5/23
Journal
Physical review letters
Volume
72
Issue
21
Pages
3389
Publisher
American Physical Society
Description
The electronic and structural properties of VO 2 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 VO 2 may be more bandlike than correlated.
Total citations
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Scholar articles
RM Wentzcovitch, WW Schulz, PB Allen - Physical review letters, 1994
RM Wentzcovitch, WW Schulz, PB Allen - Physical Review Letters, 1994