Paper Title
First Principals Calculations for Electronic Magnetic and Elastic Properties of full-Heusler Alloys Cs2CrGe
Abstract
In this study The electronic and elastic properties of full-Heusler alloys Cs2CrGe are examined using FP-LAPW method based on density functional theory. Results of our calculations predict that the Hg2CuTi-type structure is more stable than the Cu2MnAl-type structure and the ground state of these alloys is ferromagnetic. The total magnetic moment calculated, is an important in conformity with the Slater-Pauling curve for full-heusler alloys. Band structure of Cs2CrGe shows half metallic in spin-dn for GGA and mBJ-GGA with an important magnetic moment which equal 4µB which is in good agreement with the Slater-Pauling rule.
Keywords - Full-Heusler, FP-LAPW method, half metallic, ferromagnetic.