Unité Nanomat, Université de Liège, Liège, Belgium.
J Phys Condens Matter. 2013 Apr 3;25(13):136001. doi: 10.1088/0953-8984/25/13/136001. Epub 2013 Mar 1.
The spin-dependent coupling between electrons and phonons in ferromagnetic Fe and Co is calculated from first principles in a collinear-spin formalism. The added spin polarization is fundamental for the correct representation of the phonons, but also for obtaining good transport properties, and permits decomposition (e.g. of the resistivity) into the contributions of majority and minority spin. In Fe the minority spin coupling is only about 50% more important, but in Co the coupling between phonons and minority spin electrons is an order of magnitude larger than that with the majority spin, and both are strongly anisotropic.
在共线自旋形式下，从第一性原理出发计算了铁（Fe）和钴（Co）中电子与声子的自旋相关耦合。外加自旋极化对于正确表示声子至关重要，对于获得良好的输运性质也是如此，并允许（例如，对电阻率的）分解为多数自旋和少数自旋的贡献。在 Fe 中，少数自旋耦合仅重要约 50%，但在 Co 中，声子与少数自旋电子之间的耦合比与多数自旋的耦合大一个数量级，并且两者都具有强烈的各向异性。
