Analysis of Mn K edge X-ray absorption spectrum in Al1-xMnxNAl1-xMnxN by full potential calculations

Electronic structure of the diluted magnetic semiconductor Al0.9375Mn0.0625NAl0.9375Mn0.0625N in wurtzite phase and X-ray absorption spectrum at K   edge of Mn are investigated using first principle calculations within density functional theory. From our theoretical absorption spectrum, we give a detailed interpretation of pre-edge peaks. We conclude that the valence state of Mn in (Al,Mn)N is +3+3.