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Computer modeling of electronic structure of single‐wall carbon nanotubes affected by pressure
Author(s) -
Osadchy A. V.,
Obraztsova E. D.
Publication year - 2007
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200776127
Subject(s) - carbon nanotube , rope , materials science , nanotube , mechanical properties of carbon nanotubes , nanotechnology , electronic structure , optical properties of carbon nanotubes , condensed matter physics , computer science , physics , algorithm
In this paper, a principal calculation of the electronic structure of single‐wall carbon nanotubes at different pressure values has been performed. The simulations have been done for nanotubes aggregated in ropes. The pressure has been modeled by changing the distances between neighbor nanotubes in the rope. The results of the calculations show that the pressure increase leads to a decrease of energy of allowed optical transitions in nanotubes. This result corresponds to the experimental data published. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)