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

J. L. Xu, M. Van Schilfgaarde, G. D. Samolyuk

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Abstract

We present calculations of magnetic exchange interactions and critical temperature Tc in Ga1-xMnxAs, Ga 1-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 painwise exchange interactions; (ii) the disorder strongly reduces 7c; (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, Tcc is reasonably predicted by the local spin-density approximation in Mn:GaAs without the need to invoke compensation by donor impurities.

Original languageEnglish
Article number097201
JournalPhysical Review Letters
Volume94
Issue number9
DOIs
StatePublished - Mar 11 2005
Externally publishedYes

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