Tight-Binding Calculation of3dBands of Fe with and without Spin-Orbit Coupling
Tight-Binding Calculation of3dBands of Fe with and without Spin-Orbit Coupling
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具有和不具有自旋轨道耦合的 Fe 3dB 能带的紧束缚计算
DOI：
10.1103/physrev.140.a1303
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发表时间：
1965
期刊：
影响因子：
--
通讯作者：
M. Asdente
中科院分区：
文献类型：
--
作者：
E. Abate;M. Asdente
在紧束缚近似下计算了Fe中3d能带的电子结构，并计算了布里渊区的能量值和态密度曲线.与其他理论结果的比较表明，使用的近似和假设不影响结果显着;与以前获得的结果与相同的方法为铬的比较不支持刚性带假设。本文给出了一般磁化方向下的自旋-轨道相互作用矩阵，研究了自旋-轨道耦合对体心立方过渡金属结构的影响。
The electronic structure of the $3d$ band in Fe is calculated in the tight-binding approximation; the energy values in the Brillouin zone and the density-of-states curve are evaluated. A comparison with other theoretical results suggests that the approximations and hypotheses used do not influence the results markedly; a comparison with the results previously obtained with the same method for Cr does not support the rigid-band hypothesis. The spin-orbit interaction matrix is reported for a general direction of magnetization, and the effect of spin-orbit coupling on the structure of bcc transition metals is investigated.