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

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.