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Structural stability, electronic structure and magnetic properties of the new hypothetical half-metallic ferromagnetic full-Heusler alloy CoNiMnSi

By Elahmar M.H., Rached H., Rached D., Benalia S., Khenata R., Biskri Z.E. and Bin Omran S.

Abstract

We investigated the structural stability as well as the mechanical, electronic and magnetic properties of the Full-Heusler alloy CoNiMnSi using the full-potential linearized augmented plane wave (FP-LAPW) method. Two generalized gradient approximations (GGA and GGA + U) were used to treat the exchange-correlation energy functional. The ground state properties of CoNiMnSi including the lattice parameter and bulk modulus were calculated. The elastic constants (Cij) and their related elastic moduli as well as the thermodynamic properties for CoNiMnSi have been calculated for the first time. The existence of half-metallic ferromagnetism (HM-FM) in this material is apparent from its band structure. Our results classify CoNiMnSi as a new HM-FM material with high spin polarization suitable for spintronic applications

Topics: ab-initio calculations, Heusler alloys, electronic structure, magnetic properties, Materials of engineering and construction. Mechanics of materials, TA401-492
Publisher: De Gruyter Open
Year: 2016
DOI identifier: 10.1515/msp-2016-0011
OAI identifier: oai:doaj.org/article:bfc209d731e34462b8876a80a999ec45
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