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Interlayer Exchange Coupling: Effect of Alloying

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Kudrnovský J., Drchal V., Turek I., Šob M., Weinberger P.
Acta Physica Polonica A
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1997
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vol. 91
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issue 1
15-25
EN
The effect of disorder in magnetic layers, in the spacer, and at interfaces between them on periods, amplitudes, and phases of oscillations of interlayer exchange coupling in magnetic multilayers is studied theoretically on the ab initio level. We employ the spin-polarized surface Green function technique within the tight-binding linear muffin-tin orbital method and the Lloyd formulation of the interlayer exchange coupling. The coherent potential approximation is used to describe the effect of alloying. The calculations are significantly simplified by employing the vertex-cancellation theorem. Numerical results illustrating the effect of various kinds of disorder in the system on the properties of the interlayer exchange coupling are presented.
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Compositional Dependence of the Formation Energies of Substitutional and Interstitial Mn in Partially Compensated (Ga,Mn)As

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Mašek J., Turek I., Kudrnovský J., Máca F., Drchal V.
Acta Physica Polonica A
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2004
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vol. 105
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issue 6
637-644
EN
We use the density-functional theory to calculate the total energy of mixed crystals (Ga,Mn)As with a small concentration of various donors. We find that the formation energy of Mn depends strongly on the partial concentrations of Mn in the substitutional and interstitial positions, and on the concentration of other dopants. The composition dependence of the formation energies represents an effective feedback mechanism, resulting in the self-compensation property of (Ga,Mn)As. We show that the partial concentrations of both substitutional and interstitial Mn increase proportionally to the total concentration of Mn.
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Correlated Doping in Semiconductors: the Role of Donors in III-V Diluted Magnetic Semiconductors

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Mašek J., Turek I., Drchal V., Kudrnovský J., Máca F.
Acta Physica Polonica A
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2002
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vol. 102
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issue 4-5
673-678
EN
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.
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