Electronic structure, local moments, and transport in Fe 2 VAl
Electronic structure, local moments, and transport in Fe 2 VAl
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DOI：
10.1103/physrevb.57.14352
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发表时间：
1998-01
影响因子：
3.7
通讯作者：
David J. Singh;I. Mazin;I. Mazin
中科院分区：
文献类型：
--
作者：
David J. Singh;I. Mazin;I. Mazin
用局域自旋密度近似方法研究了Heusler结构Fe_2VAl的电子和磁性。发现该化合物是低载流子密度半金属。费米表面有小孔口袋来自一个三重简并Fe衍生的状态在伽马补偿的V衍生的电子口袋在X点。发现理想化合物对铁磁性是稳定的。Fe杂质的V网站，但是，表现为本地的时刻。由于空穴和电子袋的分离，这种局部矩之间的RKKY相互作用应该在其衰减的尺度上快速振荡，从而导致在V位点上中等浓度的Fe的自旋玻璃行为的可能性。这些功能进行了讨论，在此化合物中的一个不寻常的绝缘状态的实验观察。
Local spin density approximation calculations are used to elucidate electronic and magnetic properties of Heusler structure Fe_2VAl. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets derived from a triply degenerate Fe derived state at Gamma compensated by an V derived electron pocket at the X point. The ideal compound is found to be stable against ferromagnetism. Fe impurities on V sites, however, behave as local moments. Because of the separation of the hole and electron pockets the RKKY interaction between such local moments should be rapidly oscillating on the scale of its decay, leading to the likelihood of spin-glass behavior for moderate concentrations of Fe on V sites. These features are discussed in relation to experimental observations of an unusual insulating state in this compound.