Lattice Expansion of (Ga,Mn)As: The Role of Substitutional Mn and of the Compensating Defects

Details Lattice Expansion of (Ga,Mn)As: The Role of Substitutional Mn and of the Compensating Defects Lattice Expansion of (Ga,Mn)As: The Role of Substitutional Mn and of the Compensating Defects

2005-08-31

arxiv.org/abs/cond-mat/0508760v1

Physics

Condensed Matter

Materials Science

3 pages, 2 figures, presented at XXXIV Int. School. on the Physics of Semiconducting Compounds - Jaszowiec 2005, Ustron-Jaszow

Scientific paper

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_xAs 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 of 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.

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