The electronic, elastic and structural properties of Pd―Zr intermetallic
- Author
- HU, Jie-Qiong1 ; MING XIE1 ; YONG PAN1 ; YANG, You-Cai1 ; LIU, Man-Men1 ; ZHANG, Ji-Ming1
[1] State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming Institute of Precious Metals, Kunming 650106, China - Source
Computational materials science. 2012, Vol 51, Num 1, pp 1-6, 6 p ; ref : 62 ref
- ISSN
- 0927-0256
- Scientific domain
- Condensed state physics
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- Elastic properties Electronic structure First-principle calculations Pd-Zr intermetallics Phase stability
- Keyword (fr)
- Chaleur formation Composition chimique Composé intermétallique Constante élasticité Densité état électron Energie cohésion Energie déformation Modèle phénoménologique Méthode fonctionnelle densité Méthode pseudopotentiel Onde plane Palladium alliage Stabilité structurale Zirconium alliage
- Keyword (en)
- Heat of formation Chemical composition Intermetallic compounds Elastic constants Electronic density of states Cohesive energy Strain energy Phenomenological model Density functional method Pseudopotential methods Plane waves Palladium alloys Structure stability Zirconium alloys
- Keyword (es)
- Energía deformación Modelo fenomenológico Estabilidad estructural
- 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 / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A20 Electron density of states and band structure of crystalline solids / 001B70A20L Intermetallic compounds
- 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
- 24755030
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.commatsci.2011.07.049 
https://dx.doi.org/10.1016/j.commatsci.2011.07.049
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