We calculate the vibrational density of states (VDOS) for the C6,, molecule using the recursion method. The Born potential is adopted for calculating the dynamic matrix. The results show that the peak positions of VDOS for C6e are in qualitative agreement with those of the Raman and infrared measure
On the vibrational modes of C60
β Scribed by Dennis P. Clougherty; John P. Gorman
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 242 KB
- Volume
- 251
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The vibrational spectrum of C6o is compared to the spectrum of a classical isotropic elastic spherical shell. We show correlations between the low frequency modes of C60 and those of the spherical shell. We find the spherical model gives the approximate frequency ordering for the low frequency modes. We estimate a Poisson ratio of o" ~ 0.30 and a transverse of sound of vs ~ 1800 m/s for the equivalent elastic shell. We also find that to(Ml)/w(Mo) = ~ for the shell speed modes M0 and M1, independent of elastic constants. We find that this ratio compares favorably with an experimental value of 1.17.
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