Exciton-phonon coupling in molecular crystals: Synergy between two intramolecular vibrational modes in quaterthiophene single crystals

Journal of Chemical Physics

Volumn 130, Issue 23, 2009, Pages

  Silvestri, Leonardo ^a   Tavazzi, Silvia ^a   Spearman, Peter ^a   Raimondo, Luisa ^a   Spano, Frank C ^b  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b TEMPLE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITON-PHONON COUPLINGS; HIGH ENERGY MODES; HIGH RESOLUTION; INTRAMOLECULAR VIBRATIONAL MODES; LARGE EFFECTIVE; LOW ENERGIES; MODEL PREDICTION; NUMERICAL RESULTS; NUMERICAL SIMULATION; OLIGOTHIOPHENE; QUATERTHIOPHENE; THEORETICAL MODELS; VIBRATIONAL MODES;

ABSORPTION; EXCITONS; LIGHT ABSORPTION; MOLECULAR CRYSTALS; PHONONS; SPECTRUM ANALYSIS;

SINGLE CRYSTALS;

THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CRYSTALLIZATION; VIBRATION;

COMPUTER SIMULATION; CRYSTALLIZATION; MODELS, CHEMICAL; THIOPHENES; VIBRATION;

EID: 67649103598     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3151675     Document Type: Article

References (35)

1. G. Malliaras and R. H. Friend, Phys. Today 0031-9228 58, 53 (2005).
2. J. H. Burroughes, D. D. C. Bradley, A. R. Brown, R. N. Marks, K. Mackay, R. H. Friend, P. L. Burns, and A. B. Holmes, Nature (London) 0028-0836 347, 539 (1990). 10.1038/347539a0
3. S. R. Forrest, Nature (London) 0028-0836 428, 911 (2004). 10.1038/nature02498
4. H. Sirringhaus, N. Tessler, and R. H. R. H. Friend, Science 0036-8075 280, 1741 (1998). 10.1126/science.280.5370.1741
5. C. J. Brabec, V. Dyakonov, J. Parisi, and N. S. Sariciftci, Organic Photovoltaics: Concepts and Realization (Springer, New York, 2003).
6. W. T. Simpson and D. L. Peterson, J. Chem. Phys. 0021-9606 26, 588 (1957). 10.1063/1.1743351
7. E. G. McRae, Aust. J. Chem. 0004-9425 14, 329 (1961).
8. E. G. McRae and W. Siebrand, J. Chem. Phys. 0021-9606 41, 905 (1964). 10.1063/1.1725993
9. F. C. Spano, L. Silvestri, P. Spearman, L. Raimondo, and S. Tavazzi, J. Chem. Phys. 0021-9606 127, 184703 (2007). 10.1063/1.2796170
10. The simplified model aggregate of Ref. consists of a square lattice with lattice constant d and one molecule per cell. This is equivalent to a square lattice with two molecules per cell and lattice constant a=d2, tilted by 45° with respect to the previous one. By unfolding the upper band in the second Brillouin zone, we can map the two band model into the single band model by simply rotating the wave vector space by 45°. Assuming isotropic parabolic bands Jk = Jc d2 k2 in the simplified model is therefore equivalent to having the dispersion Jk = (Jc /2) a2 k2 in the two band model, so that the maximum width of the lower band is Δ= Jc π 2.
11. L. Raimondo, M. Laicini, P. Spearman, S. Tavazzi, and A. Borghesi, J. Chem. Phys. 0021-9606 125, 024702 (2006). 10.1063/1.2212943
12. T. Siegrist, C. Kloc, R. A. Laudise, H. E. Katz, and R. C. Haddon, Adv. Mater. 0935-9648 10, 379 (1998). 10.1002/(SICI)1521-4095(199803)10:5<379:: AID-ADMA379>3.0.CO;2-A
13. W. Gebauer, A. Langner, M. Schneider, M. Sokolowski, and E. Umbach, Phys. Rev. B 0163-1829 69, 125420 (2004). 10.1103/PhysRevB.69.125420
14. X. H. Sun, Z. Zhao, F. C. Spano, D. Beljonne, J. Cornil, Z. Shuai, and J. -L. Bredas, Adv. Mater. 0935-9648 15, 818 (2003). 10.1002/adma.200304770
15. D. Fichou, G. Horowitz, V. Xu, and F. Garnier, Synth. Met. 0379-6779 48, 167 (1992). 10.1016/0379-6779(92)90059-R
16. D. Birnbaum, D. Fichou, and B. E. Kohler, J. Chem. Phys. 0021-9606 96, 165 (1992). 10.1063/1.462504
17. F. Kouki, P. Spearman, P. Valet, G. Horowitz, and F. Garnier, J. Chem. Phys. 0021-9606 113, 385 (2000). 10.1063/1.481804
18. M. Laicini, P. Spearman, S. Tavazzi, and A. Borghesi, Phys. Rev. B 0163-1829 71, 045212 (2005). 10.1103/PhysRevB.71.045212
19. S. Tavazzi, M. Campione, M. Laicini, L. Raimondo, A. Borghesi, and P. Spearman, J. Chem. Phys. 0021-9606 124, 194710 (2006). 10.1063/1.2196037
20. S. Tavazzi, A. Borghesi, M. Campione, M. Laicini, S. Trabattoni, and P. Spearman, J. Chem. Phys. 0021-9606 120, 7136 (2004). 10.1063/1.1676215
21. F. Meinardi, M. Cerminara, A. Sassella, R. Bonifacio, and R. Tubino, Phys. Rev. Lett. 0031-9007 91, 247401 (2003). 10.1103/PhysRevLett.91.247401
22. F. C. Spano, Annu. Rev. Phys. Chem. 0066-426X 57, 217 (2006). 10.1146/annurev.physchem.57.032905.104557
23. M. Muccini, M. Schneider, C. Taliani, M. Sokolowski, E. Umbach, D. Beljonne, J. Cornil, and J. L. Bredas, Phys. Rev. B 0163-1829 62, 6296 (2000). 10.1103/PhysRevB.62.6296
24. P. F. van Hutten, J. Wildeman, A. Meetsma, and G. Hadziioannou, J. Am. Chem. Soc. 0002-7863 121, 5910 (1999). 10.1021/ja990934r
25. C. C. Wu, M. C. Delong, Z. V. Vardeny, and J. P. Ferraris, Synth. Met. 0379-6779 137, 939 (2003). 10.1016/S0379-6779(02)01192-X
26. A. S. Davydov, Theory of Exciton (Plenum, New York, 1971).
27. P. Petelenz and M. Andrzejak, Chem. Phys. Lett. 0009-2614 343, 139 (2001). 10.1016/S0009-2614(01)00679-0
28. P. Petelenz and M. Andrzejak, J. Chem. Phys. 0021-9606 113, 11306 (2000). 10.1063/1.1290026
29. Z. Zhao and F. C. Spano, J. Phys. Chem. C 1932-7447 111, 6113 (2007). 10.1021/jp067927r
30. T. Holstein, Ann. Phys. (San Diego) 0003-4916 8, 325 (1959). 10.1016/0003-4916(59)90002-8
31. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN03, Revision C.01, Gaussian, Inc., Wallingford, CT, 2004.
32. I. Vragovic and R. Scholz, Phys. Rev. B 0163-1829 68, 155202 (2003). 10.1103/PhysRevB.68.155202
33. R. Scholz, A. Kobitski, T. Kampen, M. Schreiber, D. Zahn, G. Jungnickel, M. Elstner, M. Sternberg, and T. Frauenheim, Phys. Rev. B 0163-1829 61, 13659 (2000). 10.1103/PhysRevB.61.13659
34. M. Andrzejak and M. T. Pawlikowski, J. Phys. Chem. A 1089-5639 112, 13737 (2008). 10.1021/jp807752k
35. Z. Zhao and F. C. Spano, J. Chem. Phys. 0021-9606 122, 114701 (2005). 10.1063/1.1861456