Abstract
AbstractThe ferromagnetic coupling (FMC) among magnetic impurities in the dilute magnetic semiconductors (DMSs) ZnO and GaN is revisited within a molecular orbital (MO) approximation. In particular, based on computational results obtained by both ab initio and tight binding molecular dynamics methods, we demonstrate that the FMC appears to be the coupling between MOs consisting of MO‐parts confined in the tetrahedra centered at the cationic impurities. This new interpretation links the defect‐induced magnetism in DMSs and TMOs (transition metal oxides) to the previously proposed theories of magnetic organic salts and carbon‐based materials.
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