Electronic structure and magnetic properties of CrSb2 and FeSb2 investigated via ab-initio calculations
Abstract
The electronic structure and magnetic properties of CrSb2 have been investigated by ab-initio calculations with an emphasis on the role of the magnetic structure for the ground state. The influence of correlation effects has been investigated by performing fixed spin moment (FSM) calculations showing their important role for the electronic and magnetic properties. The details of the electronic structure of CrSb2 are analyzed by a comparison with those of FeSb2. The results obtained contribute in particular to the understanding of the temperature dependence of transport and magnetic behavior observed experimentally.
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