TY - JOUR
T1 - Phonon softening in metallic nanotubes by a Peierls-like mechanism
AU - Dubay, Orest
AU - Kresse, Georg
AU - Kuzmany, Hans
N1 - Coden: PRLTA
Affiliations: Institut für Materialphysik, Universität Wien, Center for Computational Mat. Sci., Sensengasse 8, A-1090 Wien, Austria
Adressen: Dubay, O.; Institut für Materialphysik; Universität Wien; Center for Computational Mat. Sci.; Sensengasse 8 A-1090 Wien, Austria; email: [email protected]
Import aus Scopus: 2-s2.0-0037054191
22.10.2007: Datenanforderung 1935 (Import Sachbearbeiter)
22.10.2007: Datenanforderung 1936 (Import Sachbearbeiter)
17.12.2007: Datenanforderung 2031 (Import Sachbearbeiter)
PY - 2002
Y1 - 2002
N2 - Using the density functional theory, the radial dependency of the vibrational frequencies of single-wall carbon nanotubes (NT) in the G band (1500-1600 cm-1) was studied. In metallic nanotubes, a mode with A1 symmetry was found to be softer than the corresponding mode in insulating tubes or graphite. The study resulted in an electron-phonon coupling mechanism that opens a band gap when NT's swing back and forth in a manner compatible to the totally symmetric longitudinal A1 mode. It was found that the oscillating band gap lowers the frequency of this mode compared to graphite and insulating tubes.
AB - Using the density functional theory, the radial dependency of the vibrational frequencies of single-wall carbon nanotubes (NT) in the G band (1500-1600 cm-1) was studied. In metallic nanotubes, a mode with A1 symmetry was found to be softer than the corresponding mode in insulating tubes or graphite. The study resulted in an electron-phonon coupling mechanism that opens a band gap when NT's swing back and forth in a manner compatible to the totally symmetric longitudinal A1 mode. It was found that the oscillating band gap lowers the frequency of this mode compared to graphite and insulating tubes.
U2 - 10.1103/PhysRevLett.88.235506
DO - 10.1103/PhysRevLett.88.235506
M3 - Article
SN - 0031-9007
VL - 88
JO - Physical Review Letters
JF - Physical Review Letters
IS - 23
M1 - 235506
ER -