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A Model Calculation for the Vibrational Modes in C60

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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.

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References

  1. 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.

  2. Ping Zhou, K. A. Wang, A. M. Rao, P. C. Eklund, G. Dresselhaus, and M. S. Dresselhaus, Phys. Rev.B45, 10838 (1992).

    Article  Google Scholar 

  3. 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).

    Article  CAS  Google Scholar 

  4. W. Krätschmer, K. Fostiropoulos, and D. R. Huffman, Chem. Phys. Lett.170, 167 (1990).

    Article  Google Scholar 

  5. D. S. Bethune, G. Meijer, W. C. Tang, and H. J. Rosen, Chem. Phys. Lett.174, 219 (1990).

    Article  CAS  Google Scholar 

  6. 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).

    Article  CAS  Google Scholar 

  7. R. L. Cappelletti, J. R. D. Copley, W. Kamitakahara, Fang Li, J. S. Lannin, and D. Ramage, Phys. Rev. Lett.66, 3261 (1991).

    Article  CAS  Google Scholar 

  8. 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).

    Article  CAS  Google Scholar 

  9. S. H. Tolbert, A. P. Alivisatos, H. E. Lorenzana, M. B. Kruger, and R. Jeanloz, Chem. Phys. Lett.188, 163 (1992).

    Article  CAS  Google Scholar 

  10. D. W. Snoke, Y. S. Raptis, and K. Syassen, (1992). private communication.

  11. D. D. Klug, J. A. Howard, and D. A. Wilkinson, Chem. Phys. Lett.188, 168 (1992).

    Article  CAS  Google Scholar 

  12. R. E. Stanton and M. D. Newton, J. Phys. Chem.92, 2141 (1988).

    Article  CAS  Google Scholar 

  13. F. Negri, G. Orlandi, and F. Zerbetto, Chem. Phys. Lett.144, 31 (1988).

    Article  CAS  Google Scholar 

  14. R. L. Disch and J. M. Schulmann, Chem. Phys. Lett.125, 465 (1986).

    Article  CAS  Google Scholar 

  15. M. Häser, J. Almlöf, and G. E. Scuseria, Chem. Phys. Lett.181, 497 (1991).

    Article  Google Scholar 

  16. G. B. Adams, J. B. Page, O. F. Sankey, K. Sinha, J. Menendez, and D. R. Huffman, Phys. Rev.B44, 4052 (1991).

    Article  Google Scholar 

  17. B. P. Feuston, W. Andreoni, M. Parrinello, and E. Clementi, Phys. Rev.B44, 4056 (1991).

    Article  Google Scholar 

  18. A. Warshel and M. Karplus, J. Am. Chem. Soc.94, 5612 (1972).

    Article  CAS  Google Scholar 

  19. D. E. Weeks and W. G. Harter, J. Chem. Phys.90, 4745 (1989).

    Article  Google Scholar 

  20. S. J. Cyvin, E. Brendsdal, B. N. Cyvin, and J. Brunvoll, Chem. Phys. Lett.143, 377 (1988).

    Article  CAS  Google Scholar 

  21. Z. C. Wu, D. A. Jelski, and T. F. George, Chem. Phys. Lett.137, 291 (1987).

    Article  CAS  Google Scholar 

  22. R. A. Jishi, R. M. Mirie, and M. S. Dresselhaus, Phys. Rev.B45 (1992). June 15.

  23. R. Al-Jishi and G. Dresselhaus, Phys. Rev.B26, 4523 (1982).

    Article  Google Scholar 

  24. 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).

    Article  CAS  Google Scholar 

  25. W. Krätschmer, L. D. Lamb, K. Fostiropoulos, and D. R. Huffman, Nature347, 354 (1990).

    Article  Google Scholar 

  26. S. J. Duclos, K. Brister, R. C. Haddon, A. R. Kortan, and F. A. Thiel, Nature351, 380 (1991).

    Article  CAS  Google Scholar 

  27. W. A. Harrison, Electronic Structure and the Properties of Solids (1980). W. H. Freeman and Co., San Francisco.

    Google Scholar 

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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.

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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

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