A symmetry-adapted force-constant lattice-dynamical model for single-walled carb

2020-01-23 03:30:14

model carbon dynamical nanotubes phonon

责任者: Li, Z.M.;Popov, V.N.;Tang, Z.K. 单位: Dept. of Phys., Hong Kong Univ. of Sci. & Technol., Kowloon, China 来源出处: Solid State Communications(Solid State Commun. (USA)),2004//,130(10):657-61 摘要: We develop a lattice-dynamical model based on the screw symmetry of single-walled carbon nanotubes that allows for reducing the size of the dynamical matrix to six, for all tube chiralities. The model uses force constants derived from fitting to the phonon dispersion of 2D graphite. We present the calculation procedures in a clear and transparent way, making the easier model to follow. We calculate the phonon dispersions of a number of nanotubes of the different chiralities. The splitting of two highest Raman active modes and the radial breathing mode frequency are studied by changing the tube diameter and chirality 关键词: carbon nanotubes;graphite;M-theory;phonon dispersion relations;Raman spectra;symmetry adapted force constant;lattice dynamical model;single walled carbon nanotubes;screw symmetry;dynamical matrix;phonon dispersion;2D graphite model;Raman active modes splitting;radial breathing mode frequency;tube chirality;C