Ab initio calculations of CuAlO2-based dilute magnetic semiconductor
Ab initio calculations of CuAlO2-based dilute magnetic semiconductor
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DOI：
10.1016/j.physb.2005.12.203
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发表时间：
2006-04-01
影响因子：
2.8
通讯作者：
Katayama-Yoshida, H
中科院分区：
文献类型：
--
作者：
Kizaki, H;Sato, K;Katayama-Yoshida, H
我们提出了基于 CuAlO2 的稀磁半导体（DMS）的材料设计。利用Korringa-Kohn-Rostoker方法结合局域密度近似内的相干势近似计算了CuAlO2基DMS的电子结构和磁性能。我们考虑 Cu 和 At 位点进行替换。居里温度是通过铁磁态和顺磁态之间的总能量差的平均场近似来估计的。 (c) 2005 Elsevier B.V. 保留所有权利。
We propose materials design of CuAlO2-based dilute magnetic semiconductors (DMSs). The electronic structures and the magnetic properties of CuAlO2-based DMSs are calculated by using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation within the local density approximation. We take into account Cu and At sites for substitution. Curie temperatures are estimated by the mean-field approximation from the total energy difference between ferromagnetic states and paramagnetic states. (c) 2005 Elsevier B.V. All rights reserved.