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

摘要

Extensive density functional theory investigations have been made on the spatial distribution of Crnatoms and associated magnetism of zinc-blende Cr:AlAs. The calculated results show thatnembedded Cr clusters, formed on the substitutional Al and interstitial sites, can lead to great changesnin the local structure and magnetism of Cr:AlAs, which is very different from that assumed by thenusual homogeneous model. © 2010 American Institute of Physics. u0004doi:10.1063/1.3533799