Electronic structure and magnetic properties of CrSb$_2$ and FeSb$_2$ investigated via ab-initio calculations

Autor: Kuhn, G., Mankovsky, S., Ebert, H., Regus, M., Bensch, W.
Rok vydání: 2012
Předmět:
Druh dokumentu: Working Paper
DOI: 10.1103/PhysRevB.87.085113
Popis: The electronic structure and magnetic properties of CrSb$_2$ 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 CrSb$_2$ are analyzed by a comparison with those of FeSb$_2$. The results obtained contribute in particular to the understanding of the temperature dependence of transport and magnetic behavior observed experimentally.
Databáze: arXiv