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从头算线性响应理论方法计算 Gilbert 阻尼参数。

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

机构信息

University of Munich, Department of Chemistry, Germany.

出版信息

Phys Rev Lett. 2011 Aug 5;107(6):066603. doi: 10.1103/PhysRevLett.107.066603. Epub 2011 Aug 2.

Abstract

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 band structure method in combination with coherent potential approximation 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(1-x)Co(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.

摘要

提出了一种基于线性响应理论的库伯-格林伍德型 Gilbert 阻尼参数α的表达式。该表达式采用完全相对论的Korringa-Kohn-Rostoker 能带结构方法与相干势近似合金理论相结合,可以应用于广泛的情况。这一点通过对 bcc 合金系统 Fe(1-x)Co(x)以及一系列 Permalloy 与 5d 过渡金属的合金的结果得到了证明。为了将原子的热位移作为散射机制考虑在内,引入了一个合金类比模型。对于 Ni 的相应计算正确地描述了当少量取代的 Cu 被引入时α的快速变化。

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