Role of Spin-Orbit Interaction in Magnetic Materials

自旋轨道相互作用在磁性材料中的作用

基本信息

批准号：
02640262
负责人：
ISHIDA Shoji
金额：
$ 0.96万
依托单位：
Kagoshima University
依托单位国家：
日本
项目类别：
Grant-in-Aid for General Scientific Research (C)
财政年份：
1990
资助国家：
日本
起止时间：
1990 至 1991
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-02640262/
关键词：
Electronic Structure Spin Arrangement Magnetic Anisotropy Spin-Orbit Interaction Magnetic Structure スピン軌道相互作用 Fe Co Ni 磁化容易軸

项目摘要

A great number of electronic structures have been calculated for materials with a simple magnetic structure such as ferromagnetic or collinear antiferromagnetic structure. However, the electronic structures for complicated magnetic structures have not been calculated except for some cases. Then, the calculations for complicated magnetic structures were planned by making a new computer program where the spin-orbit interaction is considered in hamiltonian and magnetic moments can point to arbitrary directions. Using this program, we carried out following calculations.1. We calculated magnetic anisotropy energies for Fe, Co and Ni, which is appropriate to evaluate the spin-orbit interaction(sl). It was found that when for a wave vector k, the degenerate energy levels in the case of sl=O, split near Fermi level in the case of sl=O, the magnetic easy axis appears in the direction of the wave vector k.2. The compounds Mn_3MC (C=In, Sn), Mn_4N, MnHg and MnZn have noncollinear spin arrangements. The electronic structures arid total energies were also calculated for the other spin arrangements except for the observed magnetic state. Comparing the total energies of these magnetic, states, we found that the observed magnetic state is most stable and the characteristics of the electronic structure was made clear for the complicated magnetic states.

已经计算了具有简单磁性结构（例如铁磁或界线抗铁磁性结构）的材料的大量电子结构。但是，除某些情况外，还没有计算出复杂磁性结构的电子结构。然后，通过制定一个新的计算机程序来计划复杂的磁性结构的计算，其中在哈密顿量中考虑了自旋轨道相互作用，并且磁矩可以指向任意方向。使用此程序，我们进行了遵循计算1。我们计算了Fe，Co和Ni的磁各向异性能量，该能量适合评估自旋轨道相互作用（SL）。已经发现，对于波矢量k时，在sl = o的情况下，退化的能级，在sl = o的情况下，在费米水平接近费米水平时，磁性易于轴出现在波矢量K.2的方向上。。化合物MN_3MC（C = IN，SN），MN_4N，MNHG和MNZN具有非共线自旋排列。除了观察到的磁态外，还针对其他自旋排列计算了电子结构干旱的总能量。比较这些磁性的总能量，我们发现观察到的磁态最稳定，并且对于复杂的磁性状态，使电子结构的特性清晰。