An ab initio study of the electronic structure and elastic properties of the newly discovered ternary carbide Ti4 GaC3

Solid State Communications

Volumn 149, Issue 47-48, 2009, Pages 2156-2159

  Bai, Yuelei ^a   He, Xiaodong ^a   Li, Yibin ^a   Zhu, Chuncheng ^b   Li, Mingwei ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

Author keywords

A. Ti4GaC3; B. First principle; C. Electronic structure; D. Elastic properties

Indexed keywords

A. TI4GAC3; AB INITIO STUDY; B. FIRST-PRINCIPLE; C. ELECTRONIC STRUCTURE; D. ELASTIC PROPERTIES; ELASTIC PROPERTIES; ELECTRICAL CONDUCTIVITY; EXPERIMENTAL VALUES; FERMI ENERGY; FIRST-PRINCIPLES; HIGH DENSITY; INTERNAL COORDINATES; PLANE WAVE; POLYCRYSTALLINE; PSEUDOPOTENTIALS; TERNARY CARBIDE; TOTAL ENERGY CALCULATION;

ANISOTROPY; CARBIDES; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; ELECTRIC CONDUCTIVITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GALLIUM; LATTICE CONSTANTS; SOLID STATE PHYSICS;

STRUCTURAL PROPERTIES;

EID: 70350104733     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.09.024     Document Type: Article

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