Large-scale Monte Carlo study of a realistic lattice model for Ga1-xMnxAs

Yucel Yildirim; Gonzalo Alvarez; Adriana Moreo; Elbio Dagotto

doi:10.1103/PhysRevLett.99.057207

Large-scale Monte Carlo study of a realistic lattice model for Ga1-xMnxAs

Yucel Yildirim, Gonzalo Alvarez, Adriana Moreo, Elbio Dagotto

Computational Chemistry and Nanomaterial

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15 Scopus citations

Abstract

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∼1.2eV 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.

Original language	English
Article number	057207
Journal	Physical Review Letters
Volume	99
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevLett.99.057207
State	Published - Aug 1 2007

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10.1103/PhysRevLett.99.057207

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abstract = "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∼1.2eV 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.",

author = "Yucel Yildirim and Gonzalo Alvarez and Adriana Moreo and Elbio Dagotto",

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AU - Yildirim, Yucel

AU - Alvarez, Gonzalo

AU - Moreo, Adriana

AU - Dagotto, Elbio

PY - 2007/8/1

Y1 - 2007/8/1

N2 - 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∼1.2eV 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.

AB - 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∼1.2eV 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.

UR - https://www.scopus.com/pages/publications/34547683172

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ER -

Large-scale Monte Carlo study of a realistic lattice model for Ga1-xMnxAs

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