半金属巡游铁磁体CoS $_2$的费米和输运性质：自旋轨道耦合的影响
Fermiology and transport properties of the half-metallic itinerant ferromagnet CoS$_2$: influence of spin orbit coupling
摘要：
对CoS $_2$化合物进行了电子结构计算，该化合物是一种巡游铁磁体，其磁性可以用自旋涨落理论来理解。我们已经确定了嵌套功能的费米面的化合物，活跃的长波长自旋波动。材料的电子结构接近半金属。我们显示了在计算中引入自旋轨道耦合（SOC）的重要性，这部分地破坏了材料的半金属性。通过输运性质的计算，我们已经量化了SOC在室温下的电导率的影响，与单独的GGA电导率相比有重要的降低。SOC还有助于理解材料的负0，其电导率随着费米能级周围状态的小扰动而变化百分之几。
英文摘要：
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.
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