First-principles supercell studies of the substitutional carbon in c-BN

Diamond and Related Materials

Volumn 17, Issue 12, 2008, Pages 2025-2028

  Tian, Fubo ^a   Liu, Yanhui ^a   Ma, Yanming ^a   Cui, Tian ^a   Liu, Bingbing ^a   Zou, Guangtian ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Ab initio calculations; c BN; Formation enthalpy; Impurities

Indexed keywords

CONCENTRATION (PROCESS); CONDUCTION BANDS; ELECTRIC CONDUCTIVITY; ELECTRON ENERGY LEVELS; ELECTRON MOBILITY; HEAT CONDUCTION; HYDROSTATIC PRESSURE; IMPURITIES; LASER PULSES;

AB INITIO; AB INITIO CALCULATIONS; BAND GAPS; C ATOMS; C-BN; CHARGE STATES; DEFECT ENERGY LEVELS; ELECTRON TRANSFERS; ELECTRONIC LEVELS; FORMATION ENTHALPIES; FORMATION ENTHALPY; IMPURITY BANDS; POSITIVE DEPENDENCES; PRESSURE INCREASES; PSEUDOPOTENTIAL METHODS; SUPERCELL; SUPERCELL APPROACHES;

ENTHALPY;

EID: 54049102388     PISSN: 09259635     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.diamond.2008.06.007     Document Type: Article

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