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

M. A. Korotin·V. I. Anisimov·T. Saha-Dasgupta·I. Dasgupta
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Abstract

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

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M. A. Korotin, V. I. Anisimov, T. Saha-Dasgupta, I. Dasgupta. 1999-07-30. Electronic structure and exchange interactions of the ladder vanadates CaV2O5 and MgV2O5. https://doi.org/10.1088/0953-8984%2F12%2F2%2F302

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