Ab initio lattice stabilities of some elemental complex structures

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 30, Issue 4, 2006, Pages 357-366

  Sluiter, M H F ^a  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Ab initio; Complex structures; Lattice stability; Pure elements; Structural enthalpy difference

Indexed keywords

CRYSTAL STRUCTURE; ENTHALPY; HEURISTIC METHODS; PROBABILITY DENSITY FUNCTION; TOPOLOGY;

COMPLEX STRUCTURES; LATTICE STABILITY; PURE ELEMENTS; SCIENTIFIC GROUP THERMODATA EUROPE (SGTE); STRUCTURAL ENTHALPY DIFFERENCE;

CRYSTAL LATTICES;

EID: 33846029850     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2006.09.002     Document Type: Article

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