Non-Adiabatic Phonon Dispersion of Metallic Single-Walled Carbon Nanotubes

作     者：Valentin N.Popov Philippe Lambin 

作者机构：Faculty of PhysicsUniversity of SofiaBG-1164 SofiaBulgaria Research Center in Physics of Matter and RadiationFacultés Universitaires Notre Dame de la PaixB-5000 NamurBelgium 

出 版 物：《Nano Research》 (纳米研究（英文版）)

年 卷 期：2010年第3卷第11期

页      面：822-829页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：V.N.P.was supported partly by the Marie Curie European Reintegration Grant No.MERG-CT-2007-201227 within the 7th European Community Frame-work Programme partly by NSF under grant No.DO 02-136/15.12.2008(IRC-CoSiM) 

主　　题：Nanotube phonons G band tight-binding model 

摘      要：Non-adiabatic effects can considerably modify the phonon dispersion of low-dimensional metallic ***,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 *** adiabatic phonon dispersion was found to have logarithmic Kohn anomalies at the Brillouin zone center and at two mirror points inside 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 *** 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.