Polesya, S., Kuhn, G., Mankovsky, S., Ebert, H., Regus, M. and Bensch, Wolfgang (2011) Structural and magnetic properties of CrSb compounds: NiAs structure. Journal of Physics: Condensed Matter, 24 (3). 036004. DOI 10.1088/0953-8984/24/3/036004.

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Abstract

The structural and magnetic properties of CrSb compounds with NiAs structure have been studied by means of the Korringa-Kohn-Rostoker (KKR) band structure method. An analysis of the structural and magnetic stability has been performed on the basis of total energy calculations for various magnetic states. The magnetic properties at finite temperature have been investigated by means of Monte Carlo simulations on the basis of a classical Heisenberg Hamiltonian and the exchange coupling parameters calculated from first principles. This approach allowed us to determine the critical temperature in good agreement with experiment.

Document Type:	Article
Research affiliation:	Kiel University Kiel University > Kiel Marine Science OceanRep > The Future Ocean - Cluster of Excellence
Refereed:	Yes
Open Access Journal?:	No
Publisher:	Institute of Physics
Projects:	Future Ocean
Date Deposited:	12 Jun 2018 10:03
Last Modified:	23 Sep 2019 23:29
URI:	https://oceanrep.geomar.de/id/eprint/43319

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