Combined approach of density functional theory and quantum Monte Carlo method to electron correlation in dilute magnetic semiconductors

Abstract

We present a realistic study for electronic and magnetic properties in dilute magnetic semiconductor (Ga,Mn)As. A multi-orbital Haldane-Anderson model parameterized by density-functional calculations is presented and solved with the Hirsch-Fye quantum Monte Carlo algorithm. Results well reproduce experimental results in the dilute limit. When the chemical potential is located between the top of the valence band and an impurity bound state, a long-range ferromagnetic correlations between the impurities, mediated by antiferromagnetic impurity-host couplings, are drastically developed. We observe an anisotropic character in local density of states at the impurity-bound-state energy, which is consistent with the STM measurements. The presented combined approach thus offers a firm starting point for realistic calculations of the various family of dilute magnetic semiconductors.

5 pages, 4 figures

References in corpus (8)

• Spintronics: Fundamentals and applications
• Theory of ferromagnetic (III,Mn)V semiconductors
• Calculations of Hubbard U from first-principles
• Spatial structure of an individual Mn acceptor in GaAs
• On the character of states near the Fermi level in (Ga,Mn)As: impurity to valence band crossover
• Multiband tight-binding model of local magnetism in GaMnAs
• Long-range ferromagnetic correlations between Anderson impurities in a semiconductor host
• Disorder, spin-orbit, and interaction effects in dilute ${\mathrm{Ga}}_{1-x}{\mathrm{Mn}}_x\mathrm{As}$

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