Embedded clusters and magnetism in Cr-doped AlAs: A first-principles study

作者:Qiu, Yao*; Zhao, Yong-Hong; Liu, Yong; Zhao, Guo-Ping; Wu, Shao-Quan
来源:Applied Physics Letters, 2010, 97(26): 262507.
DOI:10.1063/1.3533799

摘要

Extensive density functional theory investigations have been made on the spatial distribution of Cr atoms and associated magnetism of zinc-blende Cr:AlAs. The calculated results show that embedded Cr clusters, formed on the substitutional Al and interstitial sites, can lead to great changes in the local structure and magnetism of Cr:AlAs, which is very different from that assumed by the usual homogeneous model.