Physics – Condensed Matter – Materials Science
Scientific paper
2003-02-07
Physics
Condensed Matter
Materials Science
4 pages, 3 figures
Scientific paper
10.1103/PhysRevB.67.153203
We use the density-functional calculations to investigate the compositional dependence of the lattice constant of (Ga,Mn)As containing various native defects. The lattice constant of perfect mixed crystals does not depend much on the concentration of Mn. The lattice parameter increases if some Mn atoms occupy interstitial positions. The same happens if As antisite defects are present. A quantitative agreement with the observed compositional dependence is obtained for materials close to a complete compensation due to these two donors. The increase of the lattice constant of (Ga,Mn)As is correlated with the degree of compensation: the materials with low compensation should have lattice constants close to the lattice constant of GaAs crystal.
Kudrnovsky Josef
Maca Frantisek
Masek Jiri
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