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2005 | 108 | 5 | 789-794
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Lattice Expansion of (Ga,Mn)As: The Role of Substitutional Mn and of the Compensating Defects

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We apply the density-functional technique to determine the lattice constant of GaAs supercells containing Mn_{Ga}, Mn_{int}, and As_{Ga} impurities, and use a linear interpolation to describe the dependence of the lattice constant a of Ga_{1-x}Mn_{x}As on the concentrations of these impurities. The results of the supercell calculations confirm that Mn_{Ga} does not contribute to the lattice expansion. The increase in a is due to both Mn_{int} and As_{Ga}, that are both created in the as-grown (Ga,Mn)As in proportion to x, and that are most probably present in a remarkable amount also in the best annealed materials.
  • Institute of Physics, AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic
  • Institute of Physics, AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic
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