Origin of the D line in the Raman spectrum of graphite: A study based on Raman frequencies and intensities of polycyclic aromatic hydrocarbon molecules

Journal of Chemical Physics

Volumn 114, Issue 2, 2001, Pages 963-974

  Castiglioni, C ^a   Mapelli, C ^a   Negri, F ^b   Zerbi, G ^a  

^a POLITECNICO DI MILANO   (Italy)

^b UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC HYDROCARBONS; CORRELATION METHODS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY; POLYCYCLIC AROMATIC HYDROCARBONS (PAH); VIBRATIONAL DYNAMICS;

GRAPHITE;

EID: 0035128032     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1329670     Document Type: Article

References (29)

1. F. Tuinstra and J. L. Koenig, J. Chem. Phys. 53, 1126 (1970).
2. R. J. Nemanich and S. A. Solin, Phys. Rev. B 20, 392 (1979).
3. R. O. Dillon, J. A. Woollam, and V. Katkanant, Phys. Rev. B 29, 3482 (1984).
4. D. S. Knight and W. B. White, J. Mater. Res. 4, 385 (1989).
5. R. Vidano, D. B. Fishbach, L. J. Willis, and T. M. Loher, Solid State Commun. 39, 341 (1981).
6. I. Póksic, M. Hunfhausen, M. Koós, and L. Ley, J. Non-Cryst. Solids 227-230, 1083 (1998).
7. M. J. Matthews, M. A. Pimenta, G. Dresselhaus, M. S. Dresselhaus, and M. Endo, Phys. Rev. B 59, 6585 (1999).
8. Y. Kawashima and G. Katagiri, Phys. Rev. B 52, 10053 (1995).
9. E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations (McGraw-Hill, New York, 1955).
10. C. Mapelli, C. Castiglioni, G. Zerbi, and K. Müllen, Phys. Rev. B 60, 12710 (1999).
11. K. Ohno, J. Chem. Phys. 95, 5524 (1991).
12. K. Ohno and H. Shinohara, J. Mol. Struct. 352/353, 475 (1995).
13. L. M. Babkov, V. I. Glyadkovskii, N. I. Davydova, V. A. Karpova, V. A. Karpova, L. A. Klimova, M. A. Kovner, M. M. Suchinskii, A. A. Terekhov, and E. V. Shpolskii, Opt. Spectrosc. 34, 38 (1973).
14. U. Fleischer and P. Pulay, J. Raman Spectrosc. 29, 473 (1998).
15. C. Mapelli, C. Castiglioni, E. Meroni, and G. Zerbi, J. Mol. Struct. 480-481, 615 (1999).
16. 1 normal modes of benzene.
17. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
18. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
19. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 98, Revision A.6, Gaussian Inc., Pittsburgh, PA, 1998.
20. F. Negri, G. Orlandi, J. Raman Spectrosc. 29, 501 (1998).
21. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
22. H. Shinohara, Y. Yamakita, and K. Ohno, J. Mol. Struct. 442, 221 (1998).
23. N. Tyutyulkov, G. Madjarova, F. Dietz, and K. Müllen, J. Phys. Chem. B 102, 10183 (1998).
24. M. Gussoni, C. Castiglioni, and G. Zerbi, in Advances in Spectroscopy, edited by R. J. H. Clark and R. E. Hester (Wiley, New York, 1991), Vol. 19, Chap. 6.
25. Z. Vardeney, E. Ehrenfrund, O. Brafman, and B. Horowitz, Phys. Rev. B 36, 1535 (1987).
26. C. Mapelli, Doctor's thesis in Materials Engineering, Politecnico di Milano, 1998.
27. The analytical method which allows to find a correspondence between normal modes of a finite PAH domain (coronene, hexabenzocoronene) and graphite phonons at k ≠ 0 is described in Ref. 10.
28. A. V. Baranov, A. N. Bekhterev, Ya. S. Bobovich, and V. I. Petrov, Opt. Spectrosc. (USSR) 62, 612 (1987).
29. F. Negri, C. Castiglioni, M. Rigolio, and G. Zerbi (unpublished).