Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2010-04-26
J. Phys.: Condens. Matter 22 505602 (2010)
Physics
Condensed Matter
Strongly Correlated Electrons
8 pages, 8 figures
Scientific paper
10.1088/0953-8984/22/50/505602
Electronic structure calculations were 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, that 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, with an important decrease comparing to the GGA alone conductivity. SOC also helps to understand the negative 0 of the material, whose conductivity varies by a few percent with the introduction of small perturbations in the states around the Fermi level.
Baldomir Daniel
Botana A. S.
Pardo Victor
Piñeiro A.
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