J Phys Condens Matter. 2010 Dec 22;22(50):505602. doi: 10.1088/0953-8984/22/50/505602. Epub 2010 Nov 30.

Fermiology and magnetism in weak itinerant ferromagnet CoS2: an ab initio study.

Journal of physics. Condensed matter : an Institute of Physics journal

A Piñeiro, A S Botana, V Pardo, D Baldomir

PMID: 21406803 DOI: 10.1088/0953-8984/22/50/505602

Abstract

Electronic structure calculations have been performed on the compound CoS(2), an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of the compound, active for long wavelength spin fluctuations. The electronic structure of the material is close to a half-metal. We show the importance of introducing spin-orbit coupling (SOC) in the calculations, which partially destroys the half-metallicity of the material. By means of transport properties calculations, we have quantified the influence of SOC in the conductivity at room temperature. Analyzing the effect of SOC helps in understanding the negative magnetoresistance of the material, whose conductivity varies within a few per cent with the introduction of small perturbations in the states around the Fermi level.

Publication Types

• Journal Article
• Research Support, Non-U.S. Gov't