Electronic structure and magnetic properties of CrSb2 and FeSb2 investigated via ab initio calculations.

Kuhn, G., Mankovsky, S., Ebert, H., Regus, M. and Bensch, Wolfgang (2013) Electronic structure and magnetic properties of CrSb2 and FeSb2 investigated via ab initio calculations. Physical Review B, 87 (8). DOI 10.1103/PhysRevB.87.085113.

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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 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 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.

Document Type: Article
Additional Information: Times Cited: 2 Kuhn, G. Mankovsky, S. Ebert, H. Regus, M. Bensch, W.
Research affiliation: Kiel University
Kiel University > Kiel Marine Science
OceanRep > The Future Ocean - Cluster of Excellence
Refereed: Yes
Open Access Journal?: No
Publisher: APS
Projects: Future Ocean
Date Deposited: 08 Jul 2014 09:29
Last Modified: 23 Sep 2019 19:31
URI: https://oceanrep.geomar.de/id/eprint/25041

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