First-principles study of structural and bonding properties of vanadium carbide and niobium carbide

Physica Scripta

Volumn 80, Issue 5, 2009, Pages

  Joshi, K B ^a   Paliwal, U ^a  

^a M L SUKHADIA UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AUTOCORRELATION FUNCTIONS; BONDING PARAMETERS; BONDING PROPERTY; BULK MODULUS; COMPARISON WITH EXPERIMENTS; CORRECTION SCHEMES; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; LINEAR COMBINATION OF ATOMIC ORBITALS; MOMENTUM DENSITY; NIOBIUM CARBIDE; PRESSURE DERIVATIVES; REFLECTION PLANE; TOTAL ENERGY; VANADIUM CARBIDES; X-RAY STRUCTURE FACTOR;

CARBIDES; CORRELATION DETECTORS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; EQUILIBRIUM CONSTANTS; GROUND STATE; LATTICE CONSTANTS; METALLIC GLASS; NIOBIUM; QUANTUM CHEMISTRY; REGRESSION ANALYSIS; VANADIUM ALLOYS;

STRUCTURAL PROPERTIES;

EID: 72449182284     PISSN: 00318949     EISSN: 14024896     Source Type: Journal    
DOI: 10.1088/0031-8949/80/05/055601     Document Type: Article

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