Metastable host-guest structure of carbon

Journal of Superhard Materials

Volumn 36, Issue 4, 2014, Pages 246-256

  Zhu, Q ^a   Feya, O D ^b   Boulfelfel, S E ^a   Oganov, A R ^a,b,c  

^a STONY BROOK UNIVERSITY   (United States)

^b MOSCOW INSTITUTE OF PHYSICS AND TECHNOLOGY   (Russian Federation)

^c NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

density functional theory; evolutionary algorithm; incommensurate crystal; silicon carbide

Indexed keywords

ATOMS; CARBON; DENSITY FUNCTIONAL THEORY; EVOLUTIONARY ALGORITHMS; HARDNESS; SILICON CARBIDE;

CARBON ATOMS; HIGH BULK MODULUS; HOST-GUESTS; INCOMMENSURATE STRUCTURE; LOCAL ENVIRONMENTS; SPACE GROUPS; SUB-LATTICES; UNIT CELLS;

CRYSTAL ATOMIC STRUCTURE;

EID: 84906682341     PISSN: 10634576     EISSN: 19349408     Source Type: Journal    
DOI: 10.3103/S1063457614040030     Document Type: Article

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