Study of structural, electronic and magnetic properties of Rh _2MnX (X=Al, Ge and Sn) Heusler alloys using GGA-WC and GGA+U approaches

摘要

We have performed first-principle calculations of the structural, electronic and magnetic properties of Rh_2MnAl, Rh_2MnGe and Rh_2MnSn Heusler alloys, using the full-potential linearized augmented plane wave (FP-LAPW) scheme within the GGA-WC and GGA+U. Results are given for the lattice parameters, the bulk modulus and its pressure derivative. The total magnetic moments increase with increasing atomic number X. Also, we presented results of the band structure and the density of states. The electronic structure in the ferromagnetic configuration shows metallic character.