A Ground State Study of Structural and Magnetic Properties of Co2CrGe: A GGA Method | Zendy

D. P. | Zendy; A. Shankar | Zendy; Sandeep Sandeep | Zendy; Madhav Prasad Ghimire | Zendy; R. K. Thapa | Zendy

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A Ground State Study of Structural and Magnetic Properties of Co2CrGe: A GGA Method

Author(s) -

D. P.,

A. Shankar,

Sandeep Sandeep,

Madhav Prasad Ghimire,

R. K. Thapa

Publication year - 2012

Publication title -

material science research india

Language(s) - English

Resource type - Journals

eISSN - 2394-0565

pISSN - 0973-3469

DOI - 10.13005/msri/090122

Subject(s) - wien2k , plane wave , density functional theory , ground state , condensed matter physics , materials science , physics , local density approximation , computational chemistry , chemistry , quantum mechanics

The structural and magnetic properties of Co2CrGe, a Heusler alloy have been evaluated by first principles density functional theory through total energy calculations at 0 K by the full potential linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2K code. The calculated results were compared with the previously reported results. Generalized gradient approximation (GGA) was used to study the structural and magnetic properties of Co2CrGe.

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