Electronic structure and exchange interactions of the ladder vanadates CaV2O5 and MgV2O5

Authors
Korotin, MA Anisimov, VI Saha-Dasgupta, T Dasgupta, I
Citation
Ma. Korotin et al., Electronic structure and exchange interactions of the ladder vanadates CaV2O5 and MgV2O5, J PHYS-COND, 12(2), 2000, pp. 113-124
Citations number
27
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
12
Issue
2
Year of publication
2000
Pages
113 - 124
Database
ISI
SICI code
0953-8984(20000117)12:2<113:ESAEIO>2.0.ZU;2-F
Abstract
We have performed ab initio calculations of the electronic structure and ex change couplings in the layered vanadates CaV2O5 and MgV2O5. On the basis o f our results we provide a possible explanation of the unusual magnetic pro perties of these materials, in particular the large difference in spin gap between CaV205 and MgV2O5.