Abstract
A force constant model for the vibrational modes in C60, based on bond-stretching and anglebending interactions, is presented. The results of this model are compared with the experimental data available from Raman, infrared, and high resolution electron energy loss spectroscopies, as well as neutron inelastic scattering measurements. Excellent agreement is obtained between the calculated and experimental mode frequencies. The pressure dependence of the Ramanand infrared-active mode frequencies is calculated within a simple model and is compared to available experimental data.
Similar content being viewed by others
References
Ping Zhou, Kai-An Wang, Ying Wang, P. C. Eklund, M. S. Dresselhaus, G. Dresselhaus, and R. A. Jishi, Phys. Rev.B45 (1992). July 15.
Ping Zhou, K. A. Wang, A. M. Rao, P. C. Eklund, G. Dresselhaus, and M. S. Dresselhaus, Phys. Rev.B45, 10838 (1992).
D. S. Bethune, G. Meijer, W. C. Tang, H. J. Rosen, W. G. Golden, H. Seki, C. A. Brown, and M. S. Derries, Chem. Phys. Lett.179, 181 (1991).
W. Krätschmer, K. Fostiropoulos, and D. R. Huffman, Chem. Phys. Lett.170, 167 (1990).
D. S. Bethune, G. Meijer, W. C. Tang, and H. J. Rosen, Chem. Phys. Lett.174, 219 (1990).
G. Gensterblum, J. J. Pireaux, P. A. Thiry, R. Caudono, J. P. Vigneron, Ph. Lambin, A. A. Lucas, and W. Krätschmer, Phys. Rev. Lett.67, 2171 (1991).
R. L. Cappelletti, J. R. D. Copley, W. Kamitakahara, Fang Li, J. S. Lannin, and D. Ramage, Phys. Rev. Lett.66, 3261 (1991).
K. Prassides, T. J. S. Dennis, J. P. Hare, J. Tomkinson, H. W. Kroto, R. Taylor, and D. R. M. Walton, Chem. Phys. Lett.187, 455 (1991).
S. H. Tolbert, A. P. Alivisatos, H. E. Lorenzana, M. B. Kruger, and R. Jeanloz, Chem. Phys. Lett.188, 163 (1992).
D. W. Snoke, Y. S. Raptis, and K. Syassen, (1992). private communication.
D. D. Klug, J. A. Howard, and D. A. Wilkinson, Chem. Phys. Lett.188, 168 (1992).
R. E. Stanton and M. D. Newton, J. Phys. Chem.92, 2141 (1988).
F. Negri, G. Orlandi, and F. Zerbetto, Chem. Phys. Lett.144, 31 (1988).
R. L. Disch and J. M. Schulmann, Chem. Phys. Lett.125, 465 (1986).
M. Häser, J. Almlöf, and G. E. Scuseria, Chem. Phys. Lett.181, 497 (1991).
G. B. Adams, J. B. Page, O. F. Sankey, K. Sinha, J. Menendez, and D. R. Huffman, Phys. Rev.B44, 4052 (1991).
B. P. Feuston, W. Andreoni, M. Parrinello, and E. Clementi, Phys. Rev.B44, 4056 (1991).
A. Warshel and M. Karplus, J. Am. Chem. Soc.94, 5612 (1972).
D. E. Weeks and W. G. Harter, J. Chem. Phys.90, 4745 (1989).
S. J. Cyvin, E. Brendsdal, B. N. Cyvin, and J. Brunvoll, Chem. Phys. Lett.143, 377 (1988).
Z. C. Wu, D. A. Jelski, and T. F. George, Chem. Phys. Lett.137, 291 (1987).
R. A. Jishi, R. M. Mirie, and M. S. Dresselhaus, Phys. Rev.B45 (1992). June 15.
R. Al-Jishi and G. Dresselhaus, Phys. Rev.B26, 4523 (1982).
J. E. Fischer, P. A. Heiney, A. R. McGhie, W. J. Romanow, A. M. Denenstein, J. P. McCauleyJr., and A. B. SmithIII, Science252, 1288 (1991).
W. Krätschmer, L. D. Lamb, K. Fostiropoulos, and D. R. Huffman, Nature347, 354 (1990).
S. J. Duclos, K. Brister, R. C. Haddon, A. R. Kortan, and F. A. Thiel, Nature351, 380 (1991).
W. A. Harrison, Electronic Structure and the Properties of Solids (1980). W. H. Freeman and Co., San Francisco.
Acknowledgement
We are thankful to Dr. G. Dresselhaus, Prof. R. Saito, Prof. P.C. Eklund, Prof. K. Levasseur, Prof. S. Pennell and R. Cooper for stimulating discussions. We gratefully acknowledge support for this work by AFOSR-90-0123. Part of this work was carried out while RAJ was a Visiting Scientist at MIT.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Jishi, R., Mirie, R. & Dresselhaus, M. A Model Calculation for the Vibrational Modes in C60. MRS Online Proceedings Library 270, 197–202 (1992). https://doi.org/10.1557/PROC-270-197
Published:
Issue Date:
DOI: https://doi.org/10.1557/PROC-270-197