Successive Spin-Correlated Local Processes Underlying the Magnetism in Diluted Magnetic Semiconductors and Related Magnetic Materials

Abstract

Recent works have suggested that the defect induced magnetism in Diluted Magnetic Semiconductors (DMSs), Transition Metal Oxides (TMOs) and related materials is facilitated and enhanced by codoping and the synergistic action between the codopants. In the present work we demonstrate that the proposed defect synergy is the result of the interplay among correlated spin-polarization processes which take place in a successive way in neighborhoods centered at the codopants and include their first nearest neighbors. These processes result in a reduction in the superexchange coupling which in turn causes an enhancement in the ferromagnetic coupling (FMC) among the magnetic dopants. The proposed FMC is demonstrated using ab initio calculations of the electronic properties of codoped ZnO, GaN and TiO2.