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

doi:10.1103/PhysRevLett.95.256404

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

Research output: Contribution to journal › Article › peer-review

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Abstract

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 language	English (US)
Article number	256404
Journal	Physical Review Letters
Volume	95
Issue number	25
DOIs	https://doi.org/10.1103/PhysRevLett.95.256404
State	Published - Dec 16 2005

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General Physics and Astronomy

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10.1103/PhysRevLett.95.256404

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abstract = "Results of extensive density-functional studies provide direct evidence that Cr atoms in Cr{\^a}¶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 0.06{\^a}€{"}1.47{\^I}μB/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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T2 - Cr doped GaN

AU - Cui, X. Y.

AU - Medvedeva, J. E.

AU - Delley, B.

AU - Freeman, A. J.

AU - Newman, Nathan

AU - Stampfl, C.

PY - 2005/12/16

Y1 - 2005/12/16

N2 - 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.

AB - 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.

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

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