TY - JOUR
T1 - Fermiology and magnetism in weak itinerant ferromagnet CoS2
T2 - An ab initio study
AU - Piñeiro, A.
AU - Botana, A. S.
AU - Pardo, V.
AU - Baldomir, D.
PY - 2010/12/22
Y1 - 2010/12/22
N2 - 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.
AB - 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.
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U2 - 10.1088/0953-8984/22/50/505602
DO - 10.1088/0953-8984/22/50/505602
M3 - Article
C2 - 21406803
AN - SCOPUS:78649834822
SN - 0953-8984
VL - 22
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
IS - 50
M1 - 505602
ER -