Search for microscopic evidence for molecular level negative thermal expansion in fullerenes

被引：19
作者：
Brown, S [1 ]
Cao, J
Musfeldt, JL
Dragoe, N
Cimpoesu, F
Ito, S
Takagi, H
Cross, RJ
机构：
[1] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA
[2] Univ Paris 11, ICMMO, LEMHE, UMR 8647,CNRS, F-91405 Orsay, France
[3] Tohoku Univ, Grad Sch Sci, Dept Chem, Sendai, Miyagi 9808578, Japan
[4] Univ Tokyo, Dept Adv Mat Sci, Kasiwa 2778561, Japan
[5] Yale Univ, Dept Chem, New Haven, CT 06520 USA
[6] Inst Phys Chem, Bucharest 77208, Romania
来源：
PHYSICAL REVIEW B | 2006年 / 73卷 / 12期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1103/PhysRevB.73.125446
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We report the high-resolution far infrared vibrational properties of C-60 and endohedral Kr@C-60 fullerene as a function of temperature. Anomalous softening of the F-1u(1) mode (526 cm(-1)) is observed throughout the temperature range of investigation (300-10 K) suggesting that the fullerene cage may expand at low temperature in these molecular solids. To test this idea, we combine these results with temperature and pressure-dependent Raman, infrared, and Kr extended x-ray absorption fine structure data from the literature to provide a comprehensive view of local cage size effects. The results are consistent with a recent molecular dynamics study [Kwon , Phys. Rev. Lett. 92, 15901 (2004)] that predicts negative thermal expansion in carbon fullerenes.
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页数：6
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