TY - JOUR
T1 - Effective shear-strain driven electromechanical response in helical rippled carbon nanotubes
AU - Zhang, D. B.
AU - Dumitricǎ, T.
PY - 2010/11/1
Y1 - 2010/11/1
N2 - Although objective molecular dynamics coupled with symmetry-adapted tight binding allows for a rigorous atomistic description of helical rippling, there is still little understanding about what effect drives the observed changes in electronic structure. We show that the intralayer shear strain, rather than the known bilayer coupling and σ-π orbital mixing effects, dominates gapping in armchair carbon nanotubes. Using an effective shear strain of the tube wall, we relate the response of the rippled morphology to the known behavior exhibited by cylindrical carbon nanotubes.
AB - Although objective molecular dynamics coupled with symmetry-adapted tight binding allows for a rigorous atomistic description of helical rippling, there is still little understanding about what effect drives the observed changes in electronic structure. We show that the intralayer shear strain, rather than the known bilayer coupling and σ-π orbital mixing effects, dominates gapping in armchair carbon nanotubes. Using an effective shear strain of the tube wall, we relate the response of the rippled morphology to the known behavior exhibited by cylindrical carbon nanotubes.
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U2 - 10.1103/PhysRevB.82.193401
DO - 10.1103/PhysRevB.82.193401
M3 - Article
AN - SCOPUS:78649733029
SN - 1098-0121
VL - 82
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 19
M1 - 193401
ER -