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

X. Y. Cui, J. E. Medvedeva, B. Delley, A. J. Freeman, Nathan Newman, C. Stampfl

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236 Scopus citations


Results of extensive density-functional studies provide direct evidence that Cr atoms in Crâ¶GaN 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 0.06â€"1.47ÎμB/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.

Original languageEnglish (US)
Article number256404
JournalPhysical Review Letters
Issue number25
StatePublished - Dec 16 2005

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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