Phys. Rev. Lett. 94, 097201 (2005) [4 pages]Role of Disorder in Mn:GaAs, Cr:GaAs, and Cr:GaNReceived 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
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