Type: Article

Magneto-electronic studies of the inverse-perovskite (Eu3O)In

Journal: Journal of Magnetism and Magnetic Materials (03048853)Year: 1 May 2015Volume: 381Issue: Pages: 34 - 40

Ali Z.Khan B. Ahmad I. Khan I.Jalali Asadabadi S.^a

a :University of Isfahan - IRAN(IR) - Isfahan

DOI:10.1016/j.jmmm.2014.12.063Language: English

Abstract

Ferromagnetic metallic inverse-perovskite (Eu3O)In is studied using hybrid functional theory (HF) in the frame work DFT. The calculated structural parameters and geometries of the material are calculated by different exchange correlation potentials and found that HF results are closed to the experiments. Electronic charge density explains the bond nature and polarization. The spin polarized electronic band profiles and density of states reveal the metallic nature of the compound. The Eu f-state splitting show that the valance bands are dominated mainly by f-[a2], f-[x(T1)], f-[y(T1)] and f-[z(T1)] states. The ground state magnetic phase of the compound is optimized. The optimum energy and magnetic susceptibility confirm the ferromagnetic nature of the compound. On the basis of different properties presented it is predicted that this compound is magnetoresistive material. © 2014 Published by Elsevier B.V.