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arXiv 1102.4551cond-mat.mtrl-scicond-mat.other
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基于线性响应理论的Gilbert阻尼参数从头计算

Ab-initio calculation of the Gilbert damping parameter via linear response formalism

H. Ebert, S. Mankovsky, D. Koedderitzsch, P. J. Kelly

摘要:

基于线性响应形式主义,给出了吉尔伯特阻尼参数$α$的Kubo-Greenwood方程。它的实施使用完全相对论性的Korringa-Kohn-Rostoker(KKR)能带结构方法与相干势近似(CPA)合金理论相结合,使其能够应用于广泛的情况。这是证明与bcc合金系统Fe $_x$ Co $_{1-x}$以及为坡莫合金与5d过渡金属的一系列合金获得的结果。为了解释原子的热位移作为一种散射机制,合金类模型被引入。Ni的相应计算正确地描述了当引入少量替代Cu时$α$的快速变化。

英文摘要:

A Kubo-Greenwood-like equation for the Gilbert damping parameter $α$ is presented that is based on the linear response formalism. Its implementation using the fully relativistic Korringa-Kohn-Rostoker (KKR) band structure method in combination with Coherent Potential Approximation (CPA) alloy theory allows it to be applied to a wide range of situations. This is demonstrated with results obtained for the bcc alloy system Fe$_x$Co$_{1-x}$ as well as for a series of alloys of permalloy with 5d transition metals. To account for the thermal displacements of atoms as a scattering mechanism, an alloy-analogy model is introduced. The corresponding calculations for Ni correctly describe the rapid change of $α$ when small amounts of substitutional Cu are introduced.

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