Electronic and magnetic properties of substitutional Mn clusters in (Ga,Mn)As
Electronic and magnetic properties of substitutional Mn clusters in (Ga,Mn)As
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DOI：
10.1103/physrevb.72.014465
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发表时间：
2005-04
影响因子：
3.7
通讯作者：
H. Raebiger;A. Ayuela;J. Boehm
中科院分区：
文献类型：
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作者：
H. Raebiger;A. Ayuela;J. Boehm
Donostia国际物理中心（DIPC），POB 1072，圣塞巴斯蒂安，西班牙（日期：2008年2月2日）利用密度泛函中的投影缀加波方法计算了（Ga，Mn）As中Mn团簇的磁化强度和空穴分布.发现能量最有利的团簇是由Mn原子围绕一个中心As原子组成的。随着Mn团簇的长大，费米能级上的空穴带逐渐分裂，空穴分布逐渐集中在中心As原子上.在离团簇较远距离处的空穴分布与团簇的大小没有显著的关系，因此，远距离团簇的自旋极化能差基本上与团簇的大小无关。居里温度
Donostia International Physics Centre (DIPC), POB 1072, 20018 San Sebastian, Spain(Dated: February 2, 2008)The magnetization and hole distribution of Mn clusters in (Ga,Mn)As are investigated by all-electron total energy calculations using the projector augmented wave method within the density-functional formalism. It is found that the energetically most favorable clusters consist of Mn atomssurrounding one center As atom. As the Mn cluster grows the hole band at the Fermi level splitsincreasingly and the hole distribution gets increasingly localized at the center As atom. The holedistribution at large distances from the cluster does not depend significantly on the cluster size.As a consequence, the spin-flip energy differences of distant clusters are essentially independent ofthe cluster size. The Curie temperature T