Density-functional based tight-binding calculations on zinc-blende type BC2N-crystals

Diamond and Related Materials

Volumn 7, Issue 11-12, 1998, Pages 1633-1638

  Widany, J ^a   Verwoerd, W S ^a   Frauenheim, Th ^b  

^a UNIVERSITY OF SOUTH AFRICA   (South Africa)

^b CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Boron carbon nitride; Cubic BC2N; Phase separation; Total energy calculations

Indexed keywords

BINDING ENERGY; BOND STRENGTH (CHEMICAL); CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; FILM GROWTH; MOLECULAR DYNAMICS; NITRIDES; PHASE SEPARATION; STACKING FAULTS; STRUCTURE (COMPOSITION); ZINC COMPOUNDS;

BORON CARBON NITRIDE; STACKING SEQUENCES; STRUCTURAL STRESS; TIGHT BINDING CALCULATIONS; TOTAL ENERGY CALCULATIONS;

PROBABILITY DENSITY FUNCTION;

EID: 0032298647     PISSN: 09259635     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0925-9635(98)00214-3     Document Type: Article

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