Charge redistribution and polarization energy of organic molecular crystals

Physical Review B - Condensed Matter and Materials Physics

Volumn 64, Issue 19, 2001, Pages

  Tsiper, E V ^a   Soos, Z G ^a  

^a PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; ANTHRACENE; CARBOXYLIC ACID DERIVATIVE; CATION; ORGANIC COMPOUND;

ARTICLE; CRYSTAL; DIPOLE; ELECTRICITY; ELECTRONICS; ENERGY; POLARIZATION; QUANTUM MECHANICS; SOLID;

EID: 0035891423     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.195124     Document Type: Article

References (40)

1. S R. Forrest, Chem. Rev.97, 1793 (1997), and references therein.
2. J H. Schön, C. Kloc, and A. Dodabalapur, Science289, 599 (2000).
3. J H. Schön, C. Kloc, and B. Batlogg, Science288, 2338 (2000).
4. F. Gutmann and L E. Lyons, Organic Semiconductors (Wiley, New York, 1967), Chap. 6.
5. M. Pope and C E. Swenberg, Electronic Processes in Organic Crystals (Clarendon, Oxford, 1982).
6. E A. Silinsh and V. Capek, Organic Molecular Crystals: Interaction, Localization and Transport Phenomena (AIP, New York, 1994).
7. N F. Mott and M J. Littleton, Trans. Faraday Soc.34, 485 (1938).
8. J W. Rohleder and R W. Munn, Magnetism and Optics of Molecular Crystals (Wiley, New York, 1992), and references therein.
9. H. Reis, M G. Papadopoulos, P. Calaminici, K. Jug, and A M. Köster, Chem. Phys.261, 359 (2000);
10. H. Reis, M G. Papadopoulos, and D N. Theodorou, J. Chem. Phys.114, 876 (2001).
11. G. Mazur and P. Petelenz, Chem. Phys. Lett.324, 161 (2000).
12. Z G. Soos, E V. Tsiper, and R A. Pascal, Jr., Chem. Phys. Lett.342, 652 (2001).
13. M C. Zerner, G H. Loew, R F. Kirchner, and U T. Mueller-Westerhoff, J. Am. Chem. Soc.102, 589 (1980).
14. A J. Stone, Mol. Phys.56, 1065 (1985).
15. C A. Coulson and H C. Lonquet-Higgins, Proc. R. Soc. London, Ser. A191, 39 (1947);
16. L. Salem, The Molecular Orbital Theory of Conjugated Systems (Benjamin, New York, 1966), Chap. 1.
17. C L. Cheng, D S N. Murthy, and G L D. Ritchie, Aust. J. Chem.25, 1301 (1972);
18. R J W. LeFevre, L. Radom, and G L D. Ritchie, J. Chem. Soc. B, 775 (1968).
19. M J. Frisch, G W. Trucks, H B. Schlegel, G E. Scuseria, M A. Robb, J R. Cheeseman, V G. Zakrzewski, J A. Montgomery, Jr., R E. Stratmann, J C. Burant, S. Dapprich, J M. Millam, A D. Daniels, K N. Kudin, M C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G A. Petersson, P Y. Ayala, Q. Cui, K. Morokuma, D K. Malick, A D. Rabuck, K. Raghavachari, J B. Foresman, J. Cioslowski, J V. Ortiz, A G. Baboul, B B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R L. Martin, D J. Fox, T. Keith, M A. Al-Laham, C Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P M W. Gill, B G. Johnson, W. Chen, M W. Wong, J L. Andres, M. Head-Gordon, E S. Replogle, and J A. Pople, GAUSSIAN 98 (Gaussian Inc, Pittsburgh, 1998).
20. D Y. Zang, F F. So, and S R. Forrest, Appl. Phys. Lett.59, 823 (1991).
21. D. Fox, Chem. Phys.17, 273 (1979).
22. E. Madelung, Die Mathematischen Hilfsmittel Des Physikers (Springer-Verlag, Berlin, 1957);
23. M. Born and M. Bradburn, Proc. Cambridge Philos. Soc.39, 104 (1943).
24. C P. Brock and J D. Dunitz, Acta Crystallogr., Sect. B: Struct. Sci.46, 795 (1990).
25. T. Ogawa, K. Kuwamoto, S. Isoda, T. Kobayashi, and N. Karl, Acta Crystallogr., Sect. B: Struct. Sci.55, 123 (1999).
26. P J. Bounds and R W. Munn, Chem. Phys.44, 103 (1979).
27. I. Eisenstein and R W. Munn, Chem. Phys.77, 47 (1983).
28. I G. Hill, A. Kahn, Z G. Soos, and R A. Pascal, Jr., Chem. Phys. Lett.327, 181 (2000).
29. P J. Bounds and Siebrand, Chem. Phys. Lett.75, 414 (1980).
30. P J. Bounds, W. Siebrand, I. Eisenstein, R W. Munn, and P. Petelenz, Chem. Phys.95, 197 (1985).
31. Z. Shen and S R. Forrest, Phys. Rev. B55, 10 578 (1997).
32. L D. Landau and I M. Lifshitz, Electrodynamics of Continuous Media (Pergamon, Oxford, 1993).
33. N. Karl, H. Rohrbacher, and D. Siebert, Phys. Status Solidi A4, 105 (1971).
34. R W. Munn, J R. Nicholson, H P. Schwob, and D F. Williams, J. Chem. Phys.58, 3828 (1973).
35. A N. Winchell, The Opecial Properties of Organic Compounds, 2nd ed. (Academic Press, New York, 1954).
36. M M. Francl and L E. Chirlian, Rev. Comput. Chem.14, 1 (2000).
37. M H. Hennessy, R A. Pascal, Jr., and Z G. Soos, Mol. Cryst. Liq. Cryst.335, 41 (2001);
38. M H. Hennessy, Z G. Soos, R A. Pascal, Jr., and A. Girlando, Chem. Phys.245, 199 (1999).
39. Primary Photoexcitations in Conjugated Polymers: Molecular Exciton Versus Semiconductor Band Moder, edited by N. S. Sariciftci (World Scientific, Singapore, 1997).
40. I V. Brovchenko, Chem. Phys. Lett.278, 355 (1997).