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VOLUME 101 (2015) | ISSUE 12 | PAGE 897
The ferromagnetic origin of Mn-doped Sr3La2O5Zn2As2: a first-principles study
DOI: 10.7868/S0370274X1512005X
Abstract
We have investigated the electronic structure and magnetic properties of Mn-doped Sr3La2O5Zn2As2 using density functional theory within the generalized gradient approximation (GGA)+U schemes. We have shown that the ground state magnetic structure of Mn-doped Sr3La2O5Zn2As2 is antiferromagnetic. Zn vacancies and hole-mediated Zener's p-d exchange are responsible for the origin of ferromagnetism.