EPJ Web of Conferences 40, 05001 (2013)
https://doi.org/10.1051/epjconf/20134005001

FP-LMTO investigation of the structural, electronic and magnetic properties of Heusler compounds Ru₂CrZ(Ge, Sn, Si)

¹ Laboratoire de Physique des Matériaux et des Fluides, Département de Physique, Université des Sciences et de la Technologie d’Oran-MB, BP 1505 Oran El Mnaouer, Algeria
² Unité de Glycobiologie Structurelle et Fonctionnelle, UMR CNRS/USTL n 8576-IFR 118, Université des Sciences et Technologies de Lille, Batiment C9, 59655 Villeneuve d’Ascq cedex, France

^a e-mail: elchikh65@gmail.com

Abstract

We report structural and magnetic properties as well as band structures and density of states (DOS) of full Heusler Ru₂CrSi, Ru₂CrGe and Ru₂CrSn. This was performed in the frame work of self-consistent first-principle calculations, using the Full-Potential Linearized Muffin Tin Orbital (FP-LMTO) method based on the Generalized Gradient Approximation (GGA), to investigate the structure and magnetic properties through the calculation of the electronic structure, equilibrium lattice constant and magnetic properties. Our results will show that our three Full-Heusler compounds are antiferromagnets.