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Phys. Rev. Lett. 99, 057207 (2007) [4 pages]

Large-Scale Monte Carlo Study of a Realistic Lattice Model for Ga1-xMnxAs

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Yucel Yildirim1,2, Gonzalo Alvarez3, Adriana Moreo1, and Elbio Dagotto1
1Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37966-1200, USA and Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6032, USA
2Department of Physics, Florida State University, Tallahassee, Florida 32306, USA
3Computer Science and Mathematics Division and Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6032, USA

Received 30 November 2006; revised 9 February 2007; published 1 August 2007

Mn-doped GaAs is studied with a real-space Hamiltonian on an fcc lattice that reproduces the valence bands of undoped GaAs. Large-scale Monte Carlo (MC) simulations on a Cray XT3, using up to a thousand nodes, were needed. Spin-orbit interaction and the random distribution of the Mn ions are considered. The hopping amplitudes are functions of the GaAs Luttinger parameters. At the realistic coupling J∼1.2  eV the MC Curie temperature and magnetization curves agree with experiments for x=8.5% annealed samples. Mn-doped GaSb and GaP are also briefly discussed.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.99.057207
DOI:
10.1103/PhysRevLett.99.057207
PACS:
75.50.Pp, 71.10.Fd, 72.25.Dc

See Also

Comment: Georges Bouzerar and Richard Bouzerar, Comment on “Large-Scale Monte Carlo Study of a Realistic Lattice Model for Ga1-xMnxAs, Phys. Rev. Lett. 100, 229701 (2008).

Reply: Adriana Moreo and Elbio Dagotto, Moreo and Dagotto Reply:, Phys. Rev. Lett. 100, 229702 (2008).