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arxiv: cond-mat/0302176 · v1 · submitted 2003-02-10 · ❄️ cond-mat.mtrl-sci

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Correlated Doping in Semiconductors: The Role of Donors in III-V Diluted Magnetic Semiconductors

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classification ❄️ cond-mat.mtrl-sci
keywords donorsenergysemiconductorsacceptorsantisiteapproxbehaviorco-doped
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We investigate the compositional dependence of the total energy of the mixed crystals (Ga,Mn)As co-doped with As, Sn, and Zn. Using the ab initio LMTO-CPA method we find a correlation between the incorporation of acceptors (Mn, Zn) and donors (Sn, antisite As). In particular, the formation energy of As_Ga is reduced by approx. 0.1 eV in the presence of Mn, and vice versa. This leads to the self-compensating behavior of (Ga,Mn)As.

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