Role of embedded clustering in dilute magnetic semiconductors: Cr doped GaN

被引：216
|
作者：
Cui, XY [1 ]
Medvedeva, JE
Delley, B
Freeman, AJ
Newman, N
Stampfl, C
机构：
[1] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia
[2] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA
[3] Paul Scherrer Inst, WHGA 123, CH-5232 Villigen, Switzerland
[4] Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA
来源：
PHYSICAL REVIEW LETTERS | 2005年 / 95卷 / 25期
关键词：
D O I：
10.1103/PhysRevLett.95.256404
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Results of extensive density-functional studies provide direct evidence that Cr atoms in CrGaN have a strong tendency to form embedded clusters, occupying Ga sites. Significantly, for larger than 2-Cr-atom clusters, states containing antiferromagnetic coupling with net spin in the range 0.06-1.47 mu(B)/Cr are favored. We propose a picture where various configurations coexist and the statistical distribution and associated magnetism will depend sensitively on the growth details. Such a view may elucidate many puzzling observations related to the structural and magnetic properties of III-N and other dilute semiconductors.
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页数：4
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