Far-infrared vibrational properties of linear C60 polymers:: A comparison between neutral and charged materials -: art. no. 045409

被引:10
|
作者
Zhu, ZT [1 ]
Musfeldt, JL
Kamarás, K
Adams, GB
Page, JB
Kashevarova, LS
Rakhmanina, AV
Davydov, VA
机构
[1] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA
[2] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA
[3] Hungarian Acad Sci, Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary
[4] Arizona State Univ, Dept Phys & Astron, Tempe, AZ 85287 USA
[5] Russian Acad Sci, Inst High Pressure Phys, Troitsk 142092, Russia
关键词
D O I
10.1103/PhysRevB.67.045409
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We report the far-infrared transmittance spectrum of a pure phase of the orthorhombic high-temperature and high-pressure C-60 polymer and compare the results with a previously published spectrum of the charged RbC60 orthorhombic polymer. Assignments for both spectra are made with the aid of first-principles quantum molecular dynamics simulations of the two materials. We find that the striking spectral differences between the neutral and charged linear fullerene polymers can be fully accounted for by charge effects on the C-60 ball.
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页数:9
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