Microscopic Analysis of the Valence Band and Impurity Band Theories of (Ga,Mn)As

Abstract

We analyze microscopically the valence and impurity band models of ferromagnetic (Ga,Mn)As. We find that the tight-binding Anderson approach with conventional parametrization and the full potential local-density approximation+U calculations give a very similar band structure whose microscopic spectral character is consistent with the physical premise of the k·p kinetic-exchange model. On the other hand, the various models with a band structure comprising an impurity band detached from the valence band assume mutually incompatible microscopic spectral character. By adapting the tight-binding Anderson calculations individually to each of the impurity band pictures in the single Mn impurity limit and then by exploring the entire doping range, we find that a detached impurity band does not persist in any of these models in ferromagnetic (Ga,Mn)As.