Ab initio Calculations of the Vibrational Modes of MnAs and Ga1-xMnxAs

Details Ab initio Calculations of the Vibrational Modes of MnAs and Ga1-xMnxAs Ab initio Calculations of the Vibrational Modes of MnAs and Ga1-xMnxAs

2006-10-18

arxiv.org/abs/cond-mat/0610493v1

Physics

Condensed Matter

Materials Science

2 pages, 3 figures, 1 table, accepted for publication in the Proceedings of the 28th International Conference on the Physics o

Scientific paper

10.1063/1.2729814

In this work, we present our theoretical results for the equation of state and the phonon dispersions of MnAs, as well as the Mn concentration dependence of both the lattice parameter and the phonon frequencies of the cubic GaMnAs alloys. The results are in good agreement with the experimental results whenever this comparison is possible. Based on the obtained results, the lattice constants and the phonon frequencies of the alloys do not obey the Vegard rule.

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