Magnetic and magneto-optical properties of doped and co-doped CdTe with (Mn, Fe): Ab-initio study

Abstract

On the basis of ab-initio calculations performed by the Akai-KKR-CPA method within the spin polarized density functional theory (DFT) and local density approximation (LDA). The magnetic and magneto-optical properties of CdTe doped with Mn and Fe, and co-doped with transitions metals (TM), have been investigated. Moreover, the density of state (DOS) have been calculated and plotted with the energy diagram, for different dopants concentrations. In this work we study, these compounds and compare our theoretical results with the experimental works concerning the doped CdTe. Then we determine which one, Mn or Fe, is responsible of the appearing magnetic and/or optical properties. We also investigate the effect of the co-doping with these elements: Mn and Fe. We show that the iron Fe does not contribute strongly in the magnetism, but it affects the optical properties of the co-doped materials. When comparing our results with the existing experimental works, we found that a low concentration of Fe improves well the magneto-optical properties such as the Faraday rotation. On the other hand, we have investigated the microscopic behavior of electrons by studying their electronic structure and density of states (DOS).