Magnetic properties of 3d pyrite-type mixed crystals calculated by the full-potential KKR-CPA method
Magnetic properties of 3d pyrite-type mixed crystals calculated by the full-potential KKR-CPA method
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DOI：
10.1088/0953-8984/19/36/365215
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发表时间：
2007-08
期刊：
影响因子：
--
通讯作者：
M. Ogura;H. Akai
中科院分区：
文献类型：
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作者：
M. Ogura;H. Akai
采用全电位Korringa-Kohn-Rostoker （KKR）方法结合相干电位近似（CPA）研究了黄铁矿型混合晶体M1−xMx ' 2 （M, M ' = Fe,Co,Ni）的电子和磁性能。这些结果很好地解释了这些体系只要处于金属相时的系统行为。还得出了全势处理是描述这些各向异性体系的必要条件。
The electronic and magnetic properties of pyrite-type mixed crystals M1−xMx′S2 (M, M′ = Fe,Co,Ni) were investigated by use of the full-potential Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA). The results well explain the systematic behaviour of these systems as long as they are in a metallic phase. It is also concluded that the full-potential treatment is necessary to describe these anisotropic systems.