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

• Autorzy: Elahmar M. H. , Rached H. , Rached D. , Benalia S. , Khenata R. , Biskri Z. E. , Bin Omran S.

Identyfikatory

DOI

10.1515/msp-2016-0011

• Języki publikacji: EN

Abstrakty

EN

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 (C-ij) 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.

Słowa kluczowe

EN

ab initio calculations; Heusler alloys; electronic structure; magnetic properties

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2016
• Tom: Vol. 34, No. 1
• Strony: 85--93
• Opis fizyczny: Bibliogr. 39 poz., rys., tab.

Twórcy

autor

Elahmar M. H.

• Laboratoire des Materiaux Magnetiques, Faculte des Sciences, Universite Djillali Liabcs de Sidi Bel-Abbcs, SidiBel-Abbcs 22000, Algerie

autor

Rached H.

• Laboratoire des Materiaux Magnetiques, Faculte des Sciences, Universite Djillali Liabcs de Sidi Bel-Abbcs, SidiBel-Abbcs 22000, Algerie
• Universite Hassiba Benbouali Chlef, Faculte des Sciences, Departement de Physique, Chlef 02000, Algerie

autor

Rached D.

• Laboratoire des Materiaux Magnetiques, Faculte des Sciences, Universite Djillali Liabcs de Sidi Bel-Abbcs, SidiBel-Abbcs 22000, Algerie

autor

Benalia S.

• Centre Universitaire de Tissemsilt, Tissemsilt 38000, Algerie

autor

Khenata R.

• Laboratoire de Physique Quantique de Modelisation Mathematique (LPQ3M), Faculte des Sciences et Technologies, Universite de Mascara, Mascara 29000, Algerie

autor

Biskri Z. E.

• Unite de Recherche Sciences des Materiaux et Applications, Departement de Physique, Faculte des Sciences Exactes, Universite Constantine1, Constantine 25000, Algerie

autor

Bin Omran S.

• Department of Physics and Astronomy, College of Science, King Saud University, P.O.Box2455, Riyadh 11451, Saudi Arabia

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Uwagi

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.