Premium
Ab initio study of double‐wall carbon nanotubes under uniaxial pressure
Author(s) -
Fagan Solange B.,
Lemos V.
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.200672584
Subject(s) - ab initio , carbon nanotube , ab initio quantum chemistry methods , materials science , carbon fibers , electronic band structure , electronic structure , molecular physics , computational chemistry , condensed matter physics , nanotechnology , chemistry , composite material , molecule , composite number , physics , organic chemistry
Ab initio calculations were performed in (5,5)@(10,10) double‐wall carbon nanotubes subjected to external forces applied in the radial direction. The inner tubes were found to be less sensitive to pressure than the outer tubes. The electronic band structure was preserved practically unchanged for uniaxial pressures up to 1 GPa. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)