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

M. A. Korotin, V. I. Anisimov, T. Saha-Dasgupta, I. Dasgupta

Research output: Contribution to journalArticlepeer-review

47 Citations (Scopus)

Abstract

We have performed ab initio calculations of the electronic structure and exchange couplings in the layered vanadates CaV2O5 and MgV2O5. On the basis of our results we provide a possible explanation of the unusual magnetic properties of these materials, in particular the large difference in spin gap between CaV2O5 and MgV2O5.

Original languageEnglish
Pages (from-to)113-124
Number of pages12
JournalJournal of Physics Condensed Matter
Volume12
Issue number2
DOIs
Publication statusPublished - 17 Jan 2000
Externally publishedYes

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