Calculated electronic structures and Neel temperatures of half-metallic diluted antiferromagnetic semiconductors
Calculated electronic structures and Neel temperatures of half-metallic diluted antiferromagnetic semiconductors
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DOI：
10.1088/0953-8984/19/36/365226
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发表时间：
2007-09-12
影响因子：
2.7
通讯作者：
Akai, H.
中科院分区：
文献类型：
--
作者：
Ogura, M.;Takahashi, C.;Akai, H.
在第一性原理电子结构计算的基础上，研究了II-VI族化合物半金属稀释反铁磁半导体的可能性。采用Kerringa Kohn-Rostoker（KKR）方法计算了两种3d过渡金属离子掺杂的ZnS、ZnSe、ZnO、CdS和CdSe的电子结构，并采用团簇近似确定了它们的磁转变温度。预测了两种磁性离子掺杂的II-VI族化合物半导体可能是半金属反铁磁体的良好候选者。
The possibility of half-metallic diluted antiferromagnetic semiconductors of II VI compounds is investigated on the basis of first-principles electronic structure calculation. The electronic structures of ZnS, ZnSe, ZnO, CdS and CdSe doped with two kinds of 3d transition metal ions are calculated using the Korringa Kohn-Rostoker ( KKR) method and their magnetic transition temperatures are determined using a cluster-type approximation. It is predicted that II-VI compound semiconductors doped with two kinds of magnetic ions might be good candidates for half-metallic antiferromagnets.