Basis-set choice for DFT/NEGF simulations of carbon nanotubes

Journal of Computational Electronics

Volumn 8, Issue 1, 2009, Pages 1-9

  Abadir, George B ^a   Walus, K ^a   Pulfrey, D L ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

Basis sets; Carbon Nanotubes; DFT; NEGF

Indexed keywords

AB INITIO; ARM-CHAIR NANOTUBES; BAND GAPS; BASIS SETS; DEFORMED CARBON NANOTUBES; DENSITY FUNCTIONAL; DFT; METALLIC BEHAVIOUR; METALLIC CARBON NANOTUBES; NEGF; SEMICONDUCTING CARBON NANOTUBES; ZERO-BIAS CONDUCTANCE; ZIGZAG TUBES;

DENSITY FUNCTIONAL THEORY; DIFFERENTIAL EQUATIONS; ENERGY GAP; GREEN'S FUNCTION; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION;

CARBON NANOTUBES;

EID: 63649110954     PISSN: 15698025     EISSN: 15728137     Source Type: Journal    
DOI: 10.1007/s10825-009-0263-5     Document Type: Article

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