<abstract xmlns="http://www.w3.org/1999/xhtml"><p>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<sub>ij</sub>) 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.</p></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.

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

Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université Djillali Liabčs de Sidi Bel-Abbčs, Sidi Bel-Abbčs 22000,

Université Hassiba Benbouali Chlef, Faculté des Sciences, Département de Physique, Chlef 02000,

Centre Universitaire de Tissemsilt, Tissemsilt 38000,

Laboratoire de Physique Quantique de Modélisation Mathématique (LPQ3M), Faculté des Sciences et Technologies, Université de Mascara, Mascara 29000,

Unité de Recherche Sciences des Matériaux et Applications, Département de Physique, Faculté des Sciences Exactes, Université Constantine 1, Constantine 25000,

Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451,

Materials Science-Poland

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

We investigated the structural stability as well as the mechanical, electronic and magnetic properties of the Full-Heusler alloy CoNiMnSi using the...

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

Article Category: Research Article

Publicado en línea: 27 abr 2016

Páginas: 85 - 93

Recibido: 29 may 2015

Aceptado: 18 nov 2015

DOI: https://doi.org/10.1515/msp-2016-0011

Palabras clave
ab-initio calculations, Heusler alloys, electronic structure, magnetic properties

© Wroclaw University of Technology.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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

Article Category: Research Article

Publicado en línea: 27 abr 2016

Páginas: 85 - 93

Recibido: 29 may 2015

Aceptado: 18 nov 2015

DOI: https://doi.org/10.1515/msp-2016-0011

Palabras claveab-initio calculations, Heusler alloys, electronic structure, magnetic properties

© Wroclaw University of Technology.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Palabras clave
ab-initio calculations, Heusler alloys, electronic structure, magnetic properties