Ab-initio study of electronic and magneto-optical properties of InAs:Mn

Abstract

Energy difference between the ferromagnetic and antiferromagnetic collinear orderings has been calculated for the uniform and dimer Mn-pair geometries in order to find the ground state distribution of the Mn atoms in InAs host. We find the preference of the dimer ferromagnetic configuration of Mn dopants and an importance of optimizing the atomic site positions. The frequency-dependent optical and magneto-optical properties, namely the dielectric tensor (on-and off-diagonal components), the electron energy loss spectra, and the transversal Kerr effect (TKE), are calculated. Calculated TKE resonance in In1-xMnxAs (x=0.0625) is found to be in good agreement with corresponding experimental magneto-optical spectra. The origin of the large TKE is discussed.