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We propose a defect-complex model to clarify the origin of ferromagnetism in Co-doped ZnO magnetic semiconductors, based on first-principles calculations. The spin-polarized defect states of oxygen vacancy (V O ) induced by the charge-transfer process are essential to the ferromagnetism. Depending on the charge state of V O and carrier concentration, (V O2+ +zinc interstitial)...
Electronic structures and magnetic properties of transition-metal-doped ternary systems based on zinc-blende CdSe compound are systematically explored using first-principles full-potential lineralized augmented plane-wave method. From the analysis of the spin-dependent density of states, band structure and magnetic moments, half-metallic ferromagnetism is obtained in the Cr- and V-doped systems with...
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