Electronic and magnetic properties of a full-Heusler alloy Co2CrGe: a first-principles study
الموضوعات : Journal of Theoretical and Applied PhysicsD P Rai 1 , A Shankar 2 , Sandeep 3 , M P Ghimire 4 , R K Thapa 5
1 - Department of Physics, Mizoram University
2 - Department of Physics, Mizoram University
3 - Department of Physics, Mizoram University
4 - National Institute for Materials Sciences
5 - Department of Physics, Mizoram University
الکلمات المفتاحية: GGA, half metallicity, DOS, band structure, 70, 71.5, m, 71.15.Mb, 71.20.Be,
ملخص المقالة :
AbstractThe 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 is used for structural study, whereas local spin density approximation is used for electronic calculation. First-principles structure optimizations were done through total energy calculations at 0 K using the full-potential linearized augmented plane wave method as implemented in the WIEN2K code.
