Predicting new superhard phases

Journal of Superhard Materials

Volumn 32, Issue 3, 2010, Pages 192-204

  Li, Q ^a   Wang, H ^a   Ma, Y M ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

crystal structure prediction; first principles; free energy minimization method; substitutional method; superhard materials

Indexed keywords

CRYSTAL STRUCTURE PREDICTION; FIRST-PRINCIPLES; FREE ENERGY MINIMIZATION METHOD; SUBSTITUTIONAL METHOD; SUPERHARD MATERIAL;

FORECASTING; FREE ENERGY; INDUSTRIAL APPLICATIONS; MATERIALS; OPTIMIZATION;

CRYSTAL STRUCTURE;

EID: 77955565121     PISSN: 10634576     EISSN: 19349408     Source Type: Journal    
DOI: 10.3103/S1063457610030056     Document Type: Article

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