Magnetic mechanism investigations on the ferromagnetism of (Sr,Na)(Zn,Mn)2As2 with decoupled charge and spin doping
作者： Jun-Tao Yang , Shi-Jun Luo , Yong-Chen Xiong
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摘要: The electronic structure and the magnetic properties of a new diluted semiconductor have been investigated, using first-principles calculations within Perdew–Burke–Ernzerhof generalized gradient approximation. Compound is -type with direct bandgap 0.57 eV at point. With spins doped via isovalent (Zn, Mn) substitutions, system prefers antiferromagnetic ground state, resulting from Mn–Mn superexchange interactions. Via off-stoichiometry (Sr, Na) holes are introduced into system, in ferromagnetic spin responses for pairs, except nearest-neighboring pair. Based on our calculations, ferromagnetism II–II–V-based originates Zener's p–d exchange interactions between localized Mn itinerant mediated by As atoms.
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