Raman cross section for the pentagonal-pinch mode in buckminsterfullerene C-60

被引:16
作者
Lorentzen, JD
Guha, S
Menendez, J
Giannozzi, P
Baroni, S
机构
[1] SCUOLA NORMALE SUPER PISA,I-56126 PISA,ITALY
[2] INFM,I-56126 PISA,ITALY
[3] SCUOLA INT SUPER STUDI AVANZATI,I-34014 TRIESTE,ITALY
[4] INFM,I-34014 TRIESTE,ITALY
[5] CTR EUROPEEN CALCUL ATOM & MOL,F-69007 LYON,FRANCE
基金
美国国家科学基金会;
关键词
D O I
10.1016/S0009-2614(97)00337-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The Raman cross section for the pentagonal pinch mode of C-60 at 1469 cm(-1) has been determined at a laser excitation wavelength lambda(L) = 752.5 nm. The experimental value, d sigma/d Omega = (2.09 +/- 0.29) x 10(-29) cm(2)/sr, is found to be in good agreement with predictions from an ab initio calculation based on density functional perturbation theory. A simple bond polarizability model with parameters obtained from hydrocarbon Raman measurements yields Raman intensities in C-60 within one order of magnitude of the experimental data.
引用
收藏
页码:129 / 134
页数:6
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