Melting properties of a simple tight-binding model of transition metals. I. the region of half-filled d -band

Journal of Chemical Physics

Volumn 130, Issue 17, 2009, Pages

  Cazorla, C ^a   Alf D ^a   Gillan, M J ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BAND FILLINGS; BODY-CENTERED-CUBIC; BONDING ENERGIES; D-ELECTRONS; FIRST-PRINCIPLES; FIRST-PRINCIPLES SIMULATIONS; FREE-ENERGY CALCULATIONS; HIGH TEMPERATURES; MELTING PROPERTIES; PAIR POTENTIALS; PHONON DISPERSIONS; PRESSURE DEPENDENTS; PRESSURE-VOLUME RELATIONS; RADIAL DISTRIBUTION FUNCTIONS; SOLID PHASIS; THERMODYNAMIC INTEGRATIONS; TIGHT BINDINGS; TIGHT-BINDING MODELS; ZERO TEMPERATURES;

DISTRIBUTION FUNCTIONS; ELECTRONIC DENSITY OF STATES; FREE ENERGY; LIQUIDS; MELTING; MOLYBDENUM; SMELTING; SOLID STATE PHYSICS; TRANSITION METALS;

BINDING ENERGY;

EID: 65549171552     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3126683     Document Type: Article

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