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

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

Korotin M. A., Anisimov V. I., Sahadasgupta T., Dasgupta I.

Inst Met Phys Gsp 170 Ekaterinburg Russia
Max Planck Inst Festkorperforsch D-70569 Stuttgart Germany

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 CaV205 and MgV₂O₅.

A reprint of this paper can be obtained from cond-mat in Germany or in the US

Journal of Physics: Condensed Matter, 12 113-124, 2000.

Max-Planck Institut für Festkörperforschung;
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