Theoretical Investigation of C_60 IR Spectrum
Condensed Matter
2009-10-28 v2
Abstract
A semi-empirical model of the infrared (IR) spectrum of the C molecule is proposed. The weak IR-active modes seen experimentally in a C crystalline sample are argued to be combination modes caused by anharmonicity. The origin of these 2-mode excitations can be either mechanical (anharmonic interatomic forces) or electrical (nonlinear dipole-moment expansion in normal modes coordinates). It is shown that the electrical anharmonicity model exhibits basic features of the experimental spectrum while nonlinear dynamics would lead to a qualitatively different overall picture.
Cite
@article{arxiv.cond-mat/9602095,
title = {Theoretical Investigation of C_60 IR Spectrum},
author = {Jaroslav Fabian},
journal= {arXiv preprint arXiv:cond-mat/9602095},
year = {2009}
}
Comments
17 pages, 5 Postscript figures, Fig. 3 of scanned quality; Accepted to PRB; (Original submission failed for the source file)