Relativistic and non-relativistic electron transport in disordered alloys I. Theory
Relativistic and non-relativistic electron transport in disordered alloys I. Theory
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无序合金中的相对论性和非相对论性电子传输 I. 理论
DOI：
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发表时间：
1998
期刊：
影响因子：
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通讯作者：
J. Banhart
中科院分区：
文献类型：
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作者：
J. Banhart
利用korringa - kohn - rostoker -相干势近似合金理论，结合密度泛函理论的局部近似和Kubo-Greenwood方程，计算了无序合金的电导率。推导了电导率的相对论和非相对论表达式。描述了一种用群论方法计算任意晶体对称的Kubo-Greenwood方程的方法。给出了计算Kubo-Greenwood方程时实轴以下复能量处的散射和电流算符的显式表达式。
The electrical conductivity of disordered alloys is calculated using the Korringa-Kohn-Rostoker-coherent-potential approximation alloy theory in conjunction with the local approximation to density functional theory and the Kubo-Greenwood equation. Relativistic and non-relativistic expressions for the conductivity are derived. A technique for evaluation of the Kubo-Greenwood equation for arbitrary crystal symmetry using group-theoretical methods is described. Explicit expressions for scattering and current operators at complex energies below the real axis which occur in the evaluation of the Kubo-Greenwood equation are given.