自旋-轨道相互作用对co2ysn (Y = Ti,V和Mn)电子结构、磁矩和自旋密度图的影响

N. El-Shamy, F. A. El‐Ela, S. H. Aly, S. Yehia
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引用次数: 0

摘要

我们研究了自旋轨道相互作用对co2ysn (Y = Ti, V和Mn)化合物的电子结构、磁矩和(110)晶面自旋密度图的影响。我们的计算是使用自一致的、全势的、线性化的增强平面波(FPLAPW)方法进行的,该方法在Wein2k中实现。发现自旋轨道耦合消除了含锰和含钛合金的自旋下间隙,导致总磁矩非整数,即半金属性受损。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Effect of the Spin-Orbit Interaction on the Electronic Structure, Magnetic Moment and Spin Density Maps of Co 2YSn (Y = Ti,V and Mn)
We present a study on the effect of the spin‐orbit interaction on the electronic structure, magnetic moment and spin density maps in the (110) crystal plane for Co 2YSn (Y = Ti, V and Mn) compounds. Our calculations are performed using a self-consistent, full-potential, linearized augment ed plane wave (FPLAPW) method as implemented in Wein2k. The spin-orbit coupling is found to eliminate the spin-down gap in the Mn and Ti-containing allo ys and leads to non-integer total magnetic moments, i.e. impairs half-metallici ty.
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