caa a22 4500 445304057 CHVBK 20180317142607.0 cr unu---uuuuu 170323e20101101xx s 000 0 eng 10.1007/s12274-010-0052-2 doi (NATIONALLICENCE)springer-10.1007/s12274-010-0052-2 Non-adiabatic phonon dispersion of metallic single-walled carbon nanotubes [Elektronische Daten] [Valentin Popov, Philippe Lambin] Non-adiabatic effects can considerably modify the phonon dispersion of low-dimensional metallic systems. Here, these effects are studied for the case of metallic single-walled carbon nanotubes using a perturbative approach within a density-functional-based non-orthogonal tight-binding model. The adiabatic phonon dispersion was found to have logarithmic Kohn anomalies at the Brillouin zone center and at two mirror points inside the zone. The obtained dynamic corrections to the adiabatic phonon dispersion essentially modify and shift the Kohn anomalies as exemplified in the case of nanotube (8, 5). Large corrections have the longitudinal optical phonon, which gives rise to the so-called G- band in the Raman spectra, and the carbon hexagon breathing phonon. The results obtained for the G- band for all nanotubes in the diameter range from 0.8 to 3.0 nm can be used for assignment of the high-frequency features in the Raman spectra of nanotube samples. Tsinghua University Press and Springer-Verlag Berlin Heidelberg, 2010 Nanotube nationallicence phonons nationallicence G band nationallicence tight-binding model nationallicence Popov Valentin Faculty of Physics, University of Sofia, BG-1164, Sofia, Bulgaria aut Lambin Philippe Research Center in Physics of Matter and Radiation, Facultés Universitaires Notre Dame de la Paix, B-5000, Namur, Belgium aut Nano Research Tsinghua Press 3/11(2010-11-01), 822-829 1998-0124 3:11<822 2010 3 12274 https://doi.org/10.1007/s12274-010-0052-2 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12274-010-0052-2 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Popov Valentin Faculty of Physics, University of Sofia, BG-1164, Sofia, Bulgaria aut NATIONALLICENCE 700 1- Lambin Philippe Research Center in Physics of Matter and Radiation, Facultés Universitaires Notre Dame de la Paix, B-5000, Namur, Belgium aut NATIONALLICENCE 773 0- Nano Research Tsinghua Press 3/11(2010-11-01), 822-829 1998-0124 3:11<822 2010 3 12274 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer