Session N31: Carbon Nanotubes: Theory
8:00 AM–10:48 AM, Wednesday, March 15, 2006
Baltimore Convention Center Room: 328
Sponsoring Unit:
DCMP
Chair: Dimitrios Papaconstantopoulos, Naval Research Laboratory
Abstract ID: BAPS.2006.MAR.N31.12
Abstract: N31.00012 : Deep levels in the band gap of the carbon nanotube with vacancy-related defects
10:12 AM–10:24 AM
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Abstract 
Authors:
Gunn Kim
(N.C. State University, USA)
Byoung Wook Jeong
Jisoon Ihm
(Seoul National University, Korea)
We study the modification in the electronic structure of the carbon nanotube induced by vacancy-related defects using the first-principles calculation. Three defect configurations which are likely to occur in semiconducting carbon nanotubes are considered. A vacancy-adatom complex is found to bring about a pair of localized states deep inside the energy gap. A pentagon- octagon-pentagon topological defect produced by the divacancy is structurally stable and gives rise to an unoccupied localized state in the gap. We also discuss the character of partially- occupied localized state produced by a substitutional impurity plus a monovacancy.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2006.MAR.N31.12