Calculation of the exchange interaction in the Ga1–xMnxAs Magnetic semiconductor by the Hartree-Fock and DFT methods

A new approach to the calculation of the exchange interaction in diluted magnetic semiconductors based on spin-polarization of electrons of the unfilled band at the magnetic center is developed. The magnitude of the exchange interaction calculated using the Hartree-Fock atomic wave functions and DFT method is in good agreement with the results of other authors. The theoretical position of the hybridized impurity band of the Ga 0.875 Mn 0.125 As semiconductor somewhat below the Fermi level is in good agreement with the experimental data found by photoelectron spectroscopy.