Paper Title
First Principals Calculations For Electronic and Optical Properties of full-Heusler Alloys Cs2CrGe
Abstract
The electronic and optical properties of full-Heusler alloys Cs2CrGe are examined in this study 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 this alloy is ferromagnetic. the Density of state of Cs2CrGe shows half metallic in spin down for the three approaches GGA and mBJ-GGA.
Keywords - Full-Heusler, FP-LAPW Method, Half Metallic, Ferromagnetic.