Theoretical investigation of the C-60 infrared spectrum

Article

关键词: FORCE-CONSTANT MODEL;    DOPED FULLERENES;    VIBRATIONAL-MODES;    SUPERCONDUCTIVITY;    RAMAN;    BUCKMINSTERFULLERENE;    C60;    SPECTROSCOPY;    SCATTERING;    FILMS;   

DOI  :  10.1103/PhysRevB.53.13864

来源: SCIE

【 摘 要 】

A semiempirical 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 two-mode excitations can be either mechanical (anharmonic interatomic forces) or electrical (nonlinear dipole-moment expansion in normal mode 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.

【 授权许可】

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