Finding the lowest-energy crystal structure starting from randomly selected lattice vectors and atomic positions: First-principles evolutionary study of the Au-Pd, Cd-Pt, Al-Sc, Cu-Pd, Pd-Ti, and Ir-N binary systems

Journal of Physics Condensed Matter

Volumn 20, Issue 29, 2008, Pages

  Trimarchi, Giancarlo ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOYS; ALUMINUM; BINARY ALLOYS; CADMIUM ALLOYS; CADMIUM COMPOUNDS; COPPER; CRYSTAL ATOMIC STRUCTURE; CRYSTAL STRUCTURE; GLOBAL OPTIMIZATION; IRIDIUM; METALLIC COMPOUNDS; PLATINUM; SCANDIUM;

ATOMIC POSITIONS; BINARY SYSTEMS; FIRST-PRINCIPLES; LATTICE VECTORS; METALLIC ALLOYS; SPACE GROUP (SG); TWO TYPES;

PALLADIUM;

EID: 47249116940     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/29/295212     Document Type: Conference Paper

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