Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal

Journal of Chemical Physics

Volumn 127, Issue 4, 2007, Pages

  Wang, L J ^a   Peng, Q ^a   Li, Q K ^a   Shuai, Z ^a  

^a INSTITUTE OF CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; HOLE MOBILITY; MOLECULAR DYNAMICS;

INTRAMOLECULAR VIBRATIONS; LOW FREQUENCY INTERMOLECULAR MODES; NAPHTHALENE CRYSTALS; TEMPERATURE DEPENDENCE;

CRYSTAL STRUCTURE;

EID: 34547608406     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2751191     Document Type: Article

References (40)

1. M. Pope and C. E. Swenberg, Electronic Processes in Organic Crystals and Polymers, 2nd ed. (Oxford University Press, Oxford, 1999), pp. 337-340.
2. C. D. Dimitrakopoulos and P. R. L. Malenfant, Adv. Mater. (Weinheim, Ger.) 14, 99 (2002).
3. J. R. Sheats, J. Mater. Res. 19, 1974 (2004).
4. M. E. Gershenson, V. Podzorov, and A. F. Morpurgo, Rev. Mod. Phys. 78, 973 (2006).
5. T. Holstein, Ann. Phys. (N.Y.) 8, 343 (1959).
6. R. W. Munn and R. Silbey, J. Chem. Phys. 83, 1854 (1985).
7. V. M. Kenkre, J. D. Anderson, D. H. Dunlap, and C. B. Duck, Phys. Rev. Lett. 62, 1165 (1989).
8. K. Hannewald and P. A. Bobbert, Appl. Phys. Lett. 85, 1535 (2004).
9. R. A. Marcus, J. Chem. Phys. 24, 966 (1956).
10. N. S. Hush, Trans. Faraday Soc. 57, 557 (1961).
11. J. Jortner, J. Chem. Phys. 64, 4860 (1976).
12. A. Troisi and G. Orlandi, J. Phys. Chem. A 110, 4065 (2006).
13. L. B. Schein, C. B. Duck, and A. R. McGhie, Phys. Rev. Lett. 40, 197 (1978).
14. T. Kato and T. Yamabe, J. Chem. Phys. 115, 8592 (2001).
15. N. Karl, Synth. Met. 133, 649 (2003).
16. Y. C. Cheng, R. J. Silbey, D. A. da Silva Filho, J. P. Calbert, J. Cornil, and J. L. Bŕdas, J. Chem. Phys. 118, 3764 (2003).
17. K. Hannewald and P. A. Bobbert, Phys. Rev. B 69, 075212 (2004).
18. W. Q. Deng and W. A. Goddard III, J. Phys. Chem. B 108, 8614 (2004).
19. K. Hummer and C. Ambrosch-Draxl, Phys. Rev. B 72, 205205 (2005).
20. K. Hannewald, V. M. Stojanović, J. M. T. Schellekens, and P. A. Bobbert, Phys. Rev. B 69, 075211 (2004).
21. G. D. Mahan, Many-Particle Physics (Plenum, London, 1990).
22. J. L. Bŕdas, D. Beljonne, V. Coropceanu, and J. Cornil, Chem. Rev. (Washington, D.C.) 104, 4971 (2004).
23. E. F. Valeev, V. Coropceanu, D. A. da Silva Filho, S. Salman, and J. L. Bŕdas, J. Am. Chem. Soc. 128, 9882 (2006).
24. T. Fujita, H. Nakai, and H. Nakatsuji, J. Chem. Phys. 104, 2410 (1996).
25. A. Troisi and G. Orlandi, Chem. Phys. Lett. 344, 509 (2001).
26. (a) S. W. Yin, Y. P. Yi, Q. X. Li, G. Yu, Y. Q. Liu, and Z. Shuai, J. Phys. Chem. A 1089-5639 110, 7138 (2006)
27. (b) X. D. Yang Q. K. Li, and Z. Shuai, Nanotechnology (to be published).
28. K. Senthilkumar, F. C. Grozema, C. F. Guerra, F. M. Bickelhaupt, F. D. Lewis, Y. A. Berlin, M. A. Ratner, and L. D. A. Siebbeles, J. Am. Chem. Soc. 127, 14894 (2005).
29. G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994); G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
30. G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994); G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
31. G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994); G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
32. Y. L. Page and P. Saxe, Phys. Rev. B 65, 104104 (2002).
33. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
34. E. F. C. Byrd, G. E. Scuseria, and C. F. Chabalowski, J. Phys. Chem. B 108, 13100 (2004).
35. V. I. Ponomarev, O. S. Filipenko, and L. O. Atovmyan, Crystallogr. Rep. 21, 392 (1976).
36. L. Giuggioli, J. D. Andersen, and V. M. Kenkre, Phys. Rev. B 67, 045110 (2003).
37. N. Karl, in Organic Semiconductors, Landolt Bornstein, New Series (Springer, Berlin, 1985), Group III, Vol. 17, edited by, K.-H. Hellwege, and, O. Madelung, pp. 106-218.
38. W. Warta and N. Karl, Phys. Rev. B 32, 1172 (1985).
39. V. Coropceanu, J. Cornil, D. A. da Silva Filho, Y. Olivier, R. Silbey, and J. L. Bŕdas, Chem. Rev. 107, 926 (2007).
40. R. Silbey and R. W. Munn, J. Chem. Phys. 72, 2763 (1980).