Investigation of electronic structure, magnetic properties and thermal properties of the new half metallic ferromagnetic full Heusler alloys Cr2GdSi1 xGex: An ab initio study
Abstract We have studied the structural, electronic, elastic, magnetic, thermal and thermodynamic properties of the quaternary Heusler alloys Cr2GdSi1 xGex (x 0, 0.25, 0.5, 0.75, 1) with the linearized augmented plane wave method based on density functional theory and implemented in WIEN2K code. For exchange correlation potential, we have used the generalized gradient approximation (GGA) within the Perdew Burke Ernzerhof (PBE 96) parameterization. Our results provide a theoretical study for the mixed Heusler Cr2GdSi1 xGex (0