Theoretical Investigation of C_60 IR Spectrum

Abstract

A semi-empirical model of the infrared (IR) spectrum of the C${}_{60}$ molecule is proposed. The weak IR-active modes seen experimentally in a C${}_{60}$ 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.

17 pages, 5 Postscript figures, Fig. 3 of scanned quality; Accepted to PRB; (Original submission failed for the source file)

References in corpus (3)

• Observation and Assignment of Silent and Higher Order Vibrations in the Infrared Transmission of C60 Crystals
• In-Situ Infrared Transmission Study of Rb- and K-Doped Fullerenes
• Vibrational Study of 13C-enriched C60 Crystals

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