Valenti, Roser ; Saha-Dasgupta, T. ; Alvarez, J. V. ; Pozgajcic, K. ; Gros, Claudius (2001) Modeling the electronic behavior of γ-LiV2O5: a microscopic study Physical Review Letters, 86 (23). pp. 5381-5384. ISSN 0031-9007
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Official URL: http://prl.aps.org/abstract/PRL/v86/i23/p5381_1
Related URL: http://dx.doi.org/10.1103/PhysRevLett.86.5381
Abstract
We determine the electronic structure of the one-dimensional spin-½ 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'-NaV2O5.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 65127 |
| Deposited On: | 15 Oct 2011 11:53 |
| Last Modified: | 15 Oct 2011 11:53 |
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