Effects of pressure and temperature on the carrier transports in organic crystal: A first-principles study

Journal of Chemical Physics

Volumn 128, Issue 19, 2008, Pages

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

^a INSTITUTE OF CHEMISTRY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC PRESSURE; CARRIER TRANSPORT; DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; HOLE MOBILITY; NAPHTHALENE; SUPERCONDUCTING TRANSITION TEMPERATURE;

ELECTRON PHONON COUPLING STRENGTH; HOLSTEIN-PEIERLS MODELS; ORGANIC CRYSTALS;

SINGLE CRYSTALS;

EID: 44349165034     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2918276     Document Type: Article

References (44)

1. V. I. Adamovich, S. R. Cordero, P. I. Djurovich, A. Tamayo, M. E. Thompson, B. W. D'Andrade, and S. R. Forrest, Org. Electron. 4, 77 (2003).
2. H. E. Katz, J. Mater. Chem. 7, 369 (1997).
3. G. Horowitz, Adv. Mater. (Weinheim, Ger.) 10, 365 (1998).
4. H. E. Katz and Z. Bao, J. Phys. Chem. B 104, 671 (2000).
5. C. D. Dimitrakopoulos and P. R. L. Malenfant, Adv. Mater. (Weinheim, Ger.) 14, 99 (2002).
6. H. Spanggaard and F. C. Krebs, Sol. Energy Mater. Sol. Cells 83, 125 (2004).
7. W. Ma, C. Yang, X. Gong, K. Lee, and A. J. Heeger, Adv. Funct. Mater. 15, 1617 (2005).
8. V. Coropceanu, J. Cornil, D. A. da Silva Filho, Y. Olivier, R. Silbey, and J. L. Bŕdas, Chem. Rev. (Washington, D.C.) 107, 926 (2007).
9. M. E. Gershenson, V. Podzorov, and A. F. Morpurgo, Rev. Mod. Phys. 78, 973 (2006).
10. C. Reese and Z. Bao, Mater. Today 10, 20 (2007).
11. T. Holstein, Ann. Phys. (N.Y.) 8, 343 (1959).
12. R. W. Munn and R. Silbey, J. Chem. Phys. 83, 1854 (1985).
13. V. M. Kenkre, J. D. Anderson, D. H. Dunlap, and C. B. Duck, Phys. Rev. Lett. 62, 1165 (1989).
14. K. Hannewald and P. A. Bobbert, Appl. Phys. Lett. 85, 1535 (2004).
15. R. A. Marcus, J. Chem. Phys. 24, 966 (1956).
16. N. S. Hush, Trans. Faraday Soc. 57, 557 (1961).
17. J. Jortner, J. Chem. Phys. 64, 4860 (1976).
18. A. Troisi and G. Orlandi, Phys. Rev. Lett. 96, 086601 (2006).
19. A. Troisi, Adv. Mater. (Weinheim, Ger.) 19, 2000 (2007).
20. Z. Rang, A. Haraldsson, D. M. Kim, P. P. Ruden, M. I. Nathan, R. J. Chesterfield, and C. D. Frisbie, Appl. Phys. Lett. 79, 2731 (2001).
21. D. A. Dows, L. Hsu, S. S. Mitra, O. Brafman, M. Hayek, W. B. Daniels, and R. K. Crawford, Chem. Phys. Lett. 22, 595 (1973).
22. Z. Rang, M. I. Nathan, P. P. Ruden, V. Podzorov, M. E. Gershenson, C. R. Newman, and C. D. Frisbie, Appl. Phys. Lett. 86, 123501 (2005).
23. N. Karl, Synth. Met. 133, 649 (2003).
24. K. Hannewald, V. M. Stojanović, J. M. T. Schellekens, P. A. Bobbert, G. Kresse, and J. Hafner, Phys. Rev. B 69, 075211 (2004).
25. K. Hannewald and P. A. Bobbert, Phys. Rev. B 69, 075212 (2004).
26. (a) L. J. Wang, Q. Peng, Q. K. Li, and Z. Shuai, J. Chem. Phys. 0021-9606 10.1063/1.2751191 127, 044506 (2007); (b) X. D. Yang, Q. K. Li, and Z. Shuai, Nanotechnology 18, 424029 (2007).
27. F. R. Ahmed and D. W. J. Cruickshank, Acta Crystallogr. 5, 852 (1952).
28. A. P. Ryzhenkov and V. M. Kozhin, Sov. Phys. Crystallogr. 12, 943 (1968).
29. C. P. Brock and J. D. Dunitz, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 38, 2218 (1982).
30. E. Baharie and G. S. Pawley, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. 38, 803 (1982).
31. J. F. J. Jordan, A. Axmann, H. Egger, and J. Kalus, Phys. Status Solidi A 71, 457 (1982).
32. R. G. D. Valle, E. Venuti, and A. Brillante, Chem. Phys. 198, 79 (1995).
33. F. P. A. Fabbiani, D. R. Allan, S. Parsons, and C. R. Pulham, Acta Crystallogr., Sect. B: Struct. Sci. 62, 826 (2006).
34. M. Nicol, M. Vernon, and J. T. Woo, J. Chem. Phys. 63, 1992 (1975).
35. W. Häfner and W. Kiefer, J. Chem. Phys. 86, 4582 (1987).
36. S. C. Capelli, A. Albinati, S. A. Mason, and B. T. M. Willis, J. Phys. Chem. A 110, 11695 (2006).
37. 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).
38. Y. L. Page and P. Saxe, Phys. Rev. B 65, 104104 (2002).
39. E. F. C. Byrd, G. E. Scuseria, and C. F. Chabalowski, J. Phys. Chem. B 108, 13100 (2004).
40. J. Cornil, D. Beljonne, J. P. Calbert, and J. L. Bŕdas, Adv. Mater. (Weinheim, Ger.) 13, 1053 (2001).
41. J. L. Bŕdas, D. Beljonne, V. Coropceanu, and J. Cornil, Chem. Rev. (Washington, D.C.) 104, 4971 (2004).
42. N. Karl, in Organic Semiconductors, Landolt Bornstein, New Series, Group III, Vol. 17, edited by, K.-H. Hellwege, and, O. Madelung, (Springer, Berlin, 1985), pp. 106-218.
43. L. B. Schein, C. B. Duke, and A. R. McGhie, Phys. Rev. Lett. 40, 197 (1978).
44. A. Troisi and G. Orlandi, J. Phys. Chem. A 110, 4065 (2006).