Abstract
We have investigated the electronic structure and magnetic properties of Ba and Mn co-doped LaZnAsO using density functional theory within the generalised gradient approximation (GGA)+U schemes. We have shown that the ground state magnetic structure of Mn-doped LaZnAsO is antiferromagnetic while Ba and Mn co-doped LaZnAsO is ferromagnetic. The origin of the Mn-Mn exchange mechanism is discussed.
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Hua, L., Zhu, Q.L. & Shen, J.M. Electronic and magnetic properties of diluted ferromagnetic semiconductor (La1−xBax)(Zn1−yMny)AsO from first-principles calculations. Eur. Phys. J. B 88, 118 (2015). https://doi.org/10.1140/epjb/e2015-60009-6
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DOI: https://doi.org/10.1140/epjb/e2015-60009-6