Ab initio study of the structural, electronic, elastic and thermal properties of RMn2Ge2 (R = Ca, Nd and Y) intermetallic compounds
- Author
- MILOUD ABID, O1 ; YAKOUBI, A1 ; TADJER, A2 ; KHENATA, R3 ; AHMED, R4 ; MURTAZA, G5 ; BIN OMRAN, S6 ; AZAM, Sikander7
[1] Laboratoire d'Etudes des Matériaux et Instrumentations Expérimentales, Université Djilali Liabes de Sidi Bel-Abbes, 22000, Algeria
[2] Modeling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, Sidi Bel-Abbes, Algeria
[3] Laboratoire de Physique Quantique de la Modélisation Mathématique (LPQ3M), Université de Mascara, 29000, Algeria
[4] Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor, Malaysia
[5] Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar, Pakistan
[6] Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
[7] New Technologies ― Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen, Czech Republic - Source
Journal of alloys and compounds. 2014, Vol 616, pp 475-482, 8 p ; ref : 38 ref
- ISSN
- 0925-8388
- Scientific domain
- Inorganic chemistry; Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Elsevier, Kidlington
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Author keyword
- Ab initio calculations Elastic properties Intermetallic compounds Magnetic properties Mechanical properties Thermal properties
- Keyword (fr)
- Approximation densité locale Calcul APW Calcul ab initio Chaleur massique Densité état électron Distance interatomique Elasticité Energie totale Germaniure Interaction échange Méthode fonctionnelle densité Ordre magnétique Température Debye
- Keyword (en)
- Local density approximation APW calculations Ab initio calculations Specific heat Electronic density of states Interatomic distances Elasticity Total energy Germanides Exchange interactions Density functional method Magnetic ordering Debye temperature
- Keyword (es)
- Aproximación densidad local
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60B Mechanical and acoustical properties of condensed matter / 001B60B20 Mechanical properties of solids / 001B60B20D Elasticity, elastic constants
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60E Thermal properties of condensed matter / 001B60E40 Thermal properties of crystalline solids / 001B60E40D Thermal expansion; thermomechanical effects and density
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70E Magnetic properties and materials / 001B70E25 Spin arrangements in magnetically ordered materials (including neutron and spin-polarized electron studies, synchrotron-source x-ray scattering, etc.)
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 28760488
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1016/j.jallcom.2014.07.146 
https://dx.doi.org/10.1016/j.jallcom.2014.07.146
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