Magneto-electronic studies of anti-perovskites NiNMn3 and ZnNMn3

Abstract

Density functional theory is used to investigate the structural, electronic and magnetic properties of the anti-perovskites NiNMn3 and ZnNMn3. The calculated structural parameters are found consistent with the experimental results. The spin-polarized calculations of the electronic properties show metallic nature of these compounds. Furthermore the magnetic phase for each compound is optimized, which reveals that both of these compounds prefer anti-ferromagnetic phase. The calculated effective magnetic moments are also found consistent with the experimental values. The studies presented in this paper confirm the magnetoresistive nature of these compounds. © 2013 Elsevier B.V. All rights reserved.