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An ab initio study of the electronic structure and elastic properties of the newly discovered ternary carbide Ti4GaC3

Author
YUELEI BAI1 ; XIAODONG HE1 ; YIBIN LI1 ; CHUNCHENG ZHU2 ; MINGWEI LI3
[1] Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin 150080, China
[2] Harbin Normal University, Harbin 150000, China
[3] School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China
Source

Solid state communications. 2009, Vol 149, Num 47-48, pp 2156-2159, 4 p ; ref : 31 ref

CODEN
SSCOA4
ISSN
0038-1098
Scientific domain
Crystallography; Electronics; Metallurgy, welding; Condensed state physics
Publisher
Elsevier, Kidlington
Publication country
United Kingdom
Document type
Article
Language
English
Author keyword
61.66.Fn 62.20.Dc 71.15.Mb A. Ti4GaC3 B. First-principle C. Electronic structure D. Elastic properties
Keyword (fr)
Calcul ab initio Conductivité électrique Constante élasticité Densité état électron Elasticité Energie totale Gallium Titane Carbure Mixte Méthode fonctionnelle densité Onde plane Paramètre cristallin Polycristal Pseudopotentiel Structure bande
Keyword (en)
Ab initio calculations Electrical conductivity Elastic constants Electronic density of states Elasticity Total energy Gallium Titanium Carbides Mixed Density functional method Plane waves Lattice parameters Polycrystals Pseudopotential Band structure
Keyword (es)
Mixto
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 / 001B70A20P Other inorganic 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
22099208

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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