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

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

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

Electronic structure calculations have been performed on the compound CoS2, 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.

Original languageEnglish (US)
Article number505602
JournalJournal of Physics Condensed Matter
Volume22
Issue number50
DOIs
StatePublished - Dec 22 2010
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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