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VOLUME 103 (2016) | ISSUE 10 | PAGE 715
The ferromagnetic origin of Na and Mn co-doped CaZn2As2 diluted magnetic semiconductor: a first-principles study
DOI: 10.7868/S0370274X16100052
Abstract
We have investigated the electronic structure and magnetic properties of Na and Mn co-doped CaZn2As2 using density functional theory within the generalized gradient approximation (GGA)+U schemes. We have shown that the ground state magnetic structure of Mn-doped CaZn2As2 is antiferromagnetic while hole-mediated Zener's p-d exchange is responsible for the origin of ferromagnetism of Na and Mn co-doped CaZn2As2.