[en] We present ab initio calculations of the nonresonant Raman spectra of zigzag and armchair BN nanotubes. In comparison, we implement a generalized bond-polarizability model where the parameters are extracted from first-principles calculations of the polarizability tensor of a BN sheet. For light polarization along the tube axis, the agreement between model and ab initio spectra is almost perfect. For perpendicular polarization, depolarization effects have to be included in the model in order to reproduce the ab initio Raman intensities.
Disciplines :
Physics
Author, co-author :
WIRTZ, Ludger ; Institut d'électronique de microélectronique et de nanotechnologie = Institute for Electronics, Microelectronics, and Nanotechnology - IEMN > ISEN
Lazzeri, M.
Mauri, F.
Rubio, A.
Language :
English
Title :
Raman spectra of BN nanotubes: Ab initio and bond-polarizability model calculations
Publication date :
2005
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
ISSN :
1098-0121
eISSN :
1550-235X
Publisher :
American Physical Society, Woodbury, United States - New York
scite shows how a scientific paper has been cited by providing the context of the citation, a classification describing whether it supports, mentions, or contrasts the cited claim, and a label indicating in which section the citation was made.
Bibliography
Similar publications
Sorry the service is unavailable at the moment. Please try again later.