First-principles calculations assisted thermodynamic assessment of the Pt-Ga-Ge ternary system

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 3, 2009, Pages 561-569

  Wang, J S ^a   Jin, S ^a   Zhu, W J ^a   Dong, H Q ^a   Tao, X M ^a   Liu, H S ^a,b   Jin, Z P ^a,b  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

CALPHAD; First principles calculations; Phase diagram; Pt Ga Ge ternary system

Indexed keywords

BINARY INTERMETALLICS; BINARY SYSTEMS; CALPHAD; EXCESS GIBBS ENERGY; EXPERIMENTAL DATA; FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES CALCULATIONS; FORMATION ENTHALPY; GE SYSTEMS; ISOTHERMAL SECTIONS; LIQUIDUS PROJECTION; MODEL PARAMETERS; PT-GA-GE TERNARY SYSTEM; REDLICH-KISTER POLYNOMIALS; SOLUTION PHASIS; STOICHIOMETRIC COMPOUND; THERMODYNAMIC ASSESSMENT; TWO-SUBLATTICE MODELS;

GALLIUM; GERMANIUM; LITHIUM BATTERIES; PHASE DIAGRAMS; PHASE EQUILIBRIA; SOLID STATE PHYSICS; TERNARY SYSTEMS;

PLATINUM;

EID: 69249209690     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2009.05.002     Document Type: Article

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