First-principle study of structural and electronic properties of ternary layered Ta2AlC

Journal of Physics and Chemistry of Solids

Volumn 72, Issue 8, 2011, Pages 954-956

  Qian, Xukun ^a   Li, Yibin ^b   He, Xiaodong ^b   Fan, Haihong ^a   Yun, Sining ^a  

^a XI'AN UNIVERSITY OF ARCHITECTURE AND TECHNOLOGY   (China)

^b HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

A. Ceramics; D. Crystal structure; D. Electrical properties

Indexed keywords

A. CERAMICS; ATOMIC POSITIONS; C ATOMS; CHARGE DENSITY DISTRIBUTIONS; COVALENTLY BONDED; D. CRYSTAL STRUCTURE; DENSITY OF STATE; ELECTRICAL PROPERTY; ELECTRONIC CONDUCTORS; FIRST-PRINCIPLE STUDY; FIRST-PRINCIPLES; INTERNAL COORDINATES; UNIT CELLS;

CERAMIC MATERIALS; DENSITY FUNCTIONAL THEORY; ELECTRIC PROPERTIES; LATTICE CONSTANTS; STRUCTURAL CERAMICS; TANTALUM;

ELECTRONIC PROPERTIES;

EID: 79959550543     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2011.05.003     Document Type: Article

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