Electronic structure and exchange interactions of the ladder vanadates CaV<sub>2</sub>O<sub>5</sub> and MgV<sub>2</sub>O<sub>5</sub>
M A Korotin; V I Anisimov; T Saha-Dasgupta; I Dasgupta
Журнал:
Journal of Physics: Condensed Matter
Дата:
2000-01-17
Аннотация:
We have performed ab initio calculations of the electronic structure and exchange couplings in the layered vanadates CaV<sub>2</sub> O<sub>5</sub> and MgV<sub>2</sub> O<sub>5</sub> . 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 CaV<sub>2</sub> O<sub>5</sub> and MgV<sub>2</sub> O<sub>5</sub> .
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