A density functional theory (DFT) study of Co2CrGe: LSDA method

The structural, electronic and magnetic properties of Co2CrGe, a Heusler alloy, have been evaluated by first principles density functional theory and compared with the known experimental and theoretical results. Generalized gradient approximation (GGA) is used for structural study where as Local spin density approximation (LSDA) for electronic calculation. First principles structure optimizations were done through total energy calculations at 0K by the full potential linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2K code.