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Phys. Rev. Lett. 94, 097201 (2005) [4 pages]

Role of Disorder in Mn:GaAs, Cr:GaAs, and Cr:GaN

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J. L. Xu and M. van Schilfgaarde
Department of Chemical and Materials Engineering, Arizona State University, Tempe, Arizona, 85287, USA

G. D. Samolyuk
Ames Laboratory, Iowa State University, Ames, Iowa, 50011, USA

Received 10 August 2004; published 9 March 2005

We present calculations of magnetic exchange interactions and critical temperature Tc in Ga1-xMnxAs, Ga1-xCrxAs, and Ga1-xCrxN. The local spin-density approximation is combined with a linear-response technique to map the magnetic energy onto a Heisenberg Hamiltonion, but no significant further approximations are made. We show the following: (i) configurational disorder results in large dispersions in the pairwise exchange interactions; (ii) the disorder strongly reduces Tc; (iii) clustering in the magnetic atoms, whose tendency is predicted from total-energy considerations, further reduces Tc, while ordering the dopants on a lattice increases it. With all the factors taken into account, Tc is reasonably predicted by the local spin-density approximation in Mn:GaAs without the need to invoke compensation by donor impurities.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.94.097201
DOI:
10.1103/PhysRevLett.94.097201
PACS:
75.50.Pp, 71.15.Mb, 75.30.Et, 75.30.Kz