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Inter-impurity and impurity-host magnetic correlations in semiconductors with low-density transition-metal impurities

机译:半导体中的杂质和杂质 - 主体磁相关性   具有低密度过渡金属杂质

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摘要

Experiments on (Ga,Mn)As in the low-doping insulating phase have shownevidence for the presence of an impurity band at 110 meV above the valenceband. The motivation of this paper is to investigate the role of the impurityband in determining the magnetic correlations in the low-doping regime of thedilute magnetic semiconductors. For this purpose, we present results on theHaldane-Anderson model of transition-metal impurities in a semiconductor host,which were obtained by using the Hirsch-Fye Quantum Monte Carlo (QMC)algorithm. In particular, we present results on the impurity-impurity andimpurity-host magnetic correlations in two and three-dimensional semiconductorswith quadratic band dispersions. In addition, we use the tight-bindingapproximation with experimentally-determined parameters to obtain the host bandstructure and the impurity-host hybridization for Mn impurities in GaAs. Whenthe chemical potential is located between the top of the valence band and theimpurity bound state (IBS), the impurities exhibit ferromagnetic (FM)correlations with the longest range. We show that these FM correlations aregenerated by the antiferromagnetic coupling of the host electronic spins to theimpurity magnetic moment. Finally, we obtain an IBS energy of 100 meV, which isconsistent with the experimental value of 110 meV, by combining the QMCtechnique with the tight-binding approach for a Mn impurity in GaAs.
机译:在低掺杂绝缘相中对(Ga,Mn)As进行的实验表明,在价带上方110 meV处存在杂质带。本文的目的是研究杂质带在确定稀磁半导体低掺杂状态下的磁相关性中的作用。为此,我们使用Hirsch-Fye量子蒙特卡罗(QMC)算法获得了半导体主体中过渡金属杂质的Haldane-Anderson模型的结果。尤其是,我们给出了具有二次谱带色散的二维和三维半导体中杂质-杂质和杂质-主磁相关的结果。此外,我们使用具有实验确定参数的紧密结合近似来获得GaAs中Mn杂质的主体能带结构和杂质-主体杂化。当化学势位于价带的顶部与杂质结合态(IBS)之间时,杂质表现出最长的铁磁(FM)相关性。我们表明,这些FM相关是由主电子自旋与杂质磁矩的反铁磁耦合产生的。最后,通过将QMC技术与GaAs中Mn杂质的紧密结合方法相结合,我们获得了100 meV的IBS能量,与110 meV的实验值一致。

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