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

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.