Electronic structure and exchange interaction in Ga1–x Mn x As and In1–x Mn x Sb magnetic semiconductors

Abstract

We have calculated the electronic structure of Ga1–xMnxAs and In1–xMnxSb diluted magnetic semiconductors and shown that, in agreement with recent photoelectron spectroscopy data, the Mn 4s and Mn 3d orbitals are hybridized with the valence band of the host semiconductor. A new approach has been developed for calculating exchange interaction in diluted magnetic semiconductors, which is based on the spin polarization of s-electrons at a magnetic center due to single-center exchange s–d matrix elements. The magnitude of exchange interaction calculated using Hartree–Fock atomic wave functions and the electrondensity-functional approach agrees well with previous data.