The ferromagnetic origin of Na and Mn co-doped CaZn$_2$As$_2$ diluted magnetic semiconductor: a first-principles study

We have investigated the electronic structure and magnetic properties of Na and Mn co-doped CaZn$_2$As$_2$ using density functional theory within the generalized gradient approximation (GGA)+U schemes. We have shown that the ground state magnetic structure of Mn-doped CaZn$_2$As$_2$ is antiferromagnetic while hole-mediated Zener's p-d exchange is responsible for the origin of ferromagnetism of Na and Mn co-doped CaZn$_2$As$_2$.