ACTA

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

J. Masek^a, I. Turek^b, V. Drchal^a, J. Kudrnovsky^a and F. Maca^a
^aInstitute of Physics, AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic
^bInstitute of Physics of Materials, AS CR, Zizkova 22, 616 62 Brno and Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic

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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 linear muffin-tin orbital coherent potential approximation 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 approximately 0.1 eV in the presence of Mn, and vice versa. This leads to the self-compensating behavior of (Ga,Mn)As.

DOI: 10.12693/APhysPolA.102.673
PACS numbers: 71.15.Ap, 71.20.Nr, 71.55.Eq, 75.50.Pp