Compositional Dependence of the Formation Energies of Substitutional and Interstitial Mn in Partially Compensated (Ga,Mn)As

• Authors: J. Mašek , I. Turek , J. Kudrnovský , F. Máca , V. Drchal
• Languages of publication: EN

Abstracts

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.

Keywords

EN

71.15.Ap; 71.20.Nr; 71.55.Eq; 75.50.Pp

Discipline

• 71.15.Ap: Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
• 71.55.Eq: III-V semiconductors
• 75.50.Pp: Magnetic semiconductors
• 71.20.Nr: Semiconductor compounds

• Journal: Acta Physica Polonica A
• Year: 2004
• Volume: 105
• Issue: 6
• Pages: 637-644

Dates

published

2004-06

received

2004-05-28

Contributors

author

J. Mašek

• Institute of Physics, AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic

author

I. Turek

• Institute of Physics of Materials, AS CR, Žižkova 22, 616 62 Brno, Czech Republic
• Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague, Czech Republic

author

J. Kudrnovský

• Institute of Physics, AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic

author

F. Máca

• Institute of Physics, AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic

author

V. Drchal

• Institute of Physics, AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic

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Identifiers

DOI

10.12693/APhysPolA.105.637