Ab initio study on elastic and thermodynamical properties of Ti 1-xZr xC

European Physical Journal B

Volumn 69, Issue 2, 2009, Pages 265-268

  Ramasubramanian, S ^a   Rajagoplan, M ^a   Thangavel, R ^a   Kumar, J ^a  

^a ANNA UNIVERSITY   (India)

Author keywords

62.20.de Elastic moduli; 71.15.Mb Density functional theory, local density approximation, gradient and other corrections; 71.20. b Electron density of states and band structure of crystalline solids; 71.20.Lp Intermetallic compounds

Indexed keywords

62.20.DE ELASTIC MODULI; 71.15.MB DENSITY FUNCTIONAL THEORY, LOCAL DENSITY APPROXIMATION, GRADIENT AND OTHER CORRECTIONS; 71.20.-B ELECTRON DENSITY OF STATES AND BAND STRUCTURE OF CRYSTALLINE SOLIDS; 71.20.LP INTERMETALLIC COMPOUNDS; AB INITIO STUDY; GENERALIZED GRADIENT APPROXIMATIONS; ROCK SALT; THERMODYNAMICAL PROPERTIES; TRIGONAL DISTORTION;

BAND STRUCTURE; CARRIER CONCENTRATION; CHEMICAL ANALYSIS; CRYSTALLINE MATERIALS; ELASTIC CONSTANTS; ELASTIC MODULI; ELECTRON DENSITY MEASUREMENT; ELECTRONIC DENSITY OF STATES; ELECTRONS; LOCAL DENSITY APPROXIMATION; MECHANICAL PROPERTIES; POISSON RATIO; SEMICONDUCTING INTERMETALLICS; TITANIUM ALLOYS; WAVE FUNCTIONS; ZIRCONIUM;

DENSITY FUNCTIONAL THEORY;

EID: 67650324894     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2009-00165-8     Document Type: Article

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