Theoretical investigation on electrical and electronic properties of carbon materials

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

Volumn 46, Issue 4 B, 2007, Pages 2650-2654

  Chutia, Arunabhiram ^a   Zhu, Zhigang ^a   Tsuboi, Hideyuki ^a   Koyama, Michihisa ^a   Endou, Akira ^a   Takaba, Hiromitsu ^a   Kubo, Momoji ^a,b   Del Carpio, Carlos A ^a   Selvam, Parasuraman ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Alkene; Density functional theory; Electrical conductivity; Energy gap; Monte Carlo method; Tight binding quantum chemical method

Indexed keywords

CHAIN LENGTH; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRIC CONDUCTIVITY; ENERGY GAP; MOLECULAR ORBITALS; MONTE CARLO METHODS; QUANTUM THEORY;

HIGHEST OCCUPIED MOLECULAR ORBITAL (HOMO); LOWEST UNOCCUPIED MOLECULAR ORBITAL (LUMP); TIGHT-BINDING QUANTUM CHEMICAL METHOD;

OLEFINS;

EID: 34547854402     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.46.2650     Document Type: Article

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