Intrinsic and Extrinsic Contributions to the Lattice Parameter of GaMnAs

Abstract

We report on measurements of the crystal structure and hole density in a series of as-grown and annealed GaMnAs samples. The measured hole densities are used to obtain the fraction of incorporated Mn atoms occupying interstitial and substitutional sites. This allows us to make a direct comparison of the measured lattice parameters with recent density functional theory (DFT) predictions. We find that the decrease in lattice constant observed on annealing is smaller than that predicted due to the out diffusion of interstitial Mn during annealing. The measured lattice parameters after annealing are still significantly larger than that of GaAs even in samples with very low compensation. This indicates that the intrinsic lattice parameter of GaMnAs is significantly larger than that of GaAs, in contradiction to the DFT prediction.