Abstract
The electronic structure and magnetic properties of CrSb 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 generalized gradient approximation (GGA) and GGA+U calculations showing their important role for the electronic and magnetic properties. Some details of the electronic structure of CrSb are analyzed by a comparison with those of FeSb. The results obtained contribute in particular to the understanding of the temperature dependence of transport and magnetic behavior observed experimentally.
4 More- Received 12 July 2012
DOI:https://doi.org/10.1103/PhysRevB.87.085113
©2013 American Physical Society