ELECTRONIC AND MAGNETIC PROPERTIES OF A FULL-HEUSLER ALLOY CO2CRGE: A FIRST-PRINCIPLES STUDY

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RAI D.P.; SHANKAR A.; SANDEEP -; GHIMIRE M.P.; THAPA R.K.

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Journal: JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL) Year:2013 | Volume:7 | Issue:7 Page(s): 1-6

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Title

ELECTRONIC AND MAGNETIC PROPERTIES OF A FULL-HEUSLER ALLOY CO2CRGE: A FIRST-PRINCIPLES STUDY

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Keywords

GGA

HALF METALLICITY

DOS

BAND STRUCTURE

Abstract

The structural, electronic, and magnetic properties of Co2CrGe, a Heusler alloy, have been evaluated by firstprinciples 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.

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APA: Copy

RAI, D.P., SHANKAR, A., SANDEEP, -, GHIMIRE, M.P., & THAPA, R.K.. (2013). ELECTRONIC AND MAGNETIC PROPERTIES OF A FULL-HEUSLER ALLOY CO₂CRGE: A FIRST-PRINCIPLES STUDY. JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL), 7(7), 1-6. SID. https://sid.ir/paper/318726/en

Vancouver: Copy

RAI D.P., SHANKAR A., SANDEEP -, GHIMIRE M.P., THAPA R.K.. ELECTRONIC AND MAGNETIC PROPERTIES OF A FULL-HEUSLER ALLOY CO₂CRGE: A FIRST-PRINCIPLES STUDY. JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL)[Internet]. 2013;7(7):1-6. Available from: https://sid.ir/paper/318726/en

IEEE: Copy

D.P. RAI, A. SHANKAR, - SANDEEP, M.P. GHIMIRE, and R.K. THAPA, “ELECTRONIC AND MAGNETIC PROPERTIES OF A FULL-HEUSLER ALLOY CO₂CRGE: A FIRST-PRINCIPLES STUDY,” JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL), vol. 7, no. 7, pp. 1–6, 2013, [Online]. Available: https://sid.ir/paper/318726/en

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