Lowest optical excitations in molecular crystals: Bound excitons versus free electron-hole pairs in anthracene

Physical Review Letters

Volumn 92, Issue 14, 2004, Pages

  Hummer, Kerstin ^a   Puschnig, Peter ^a,b   Ambrosch Draxl, Claudia ^a  

^a UNIVERSITY OF GRAZ   (Austria)

^b GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CRYSTAL LATTICES; CRYSTALLINE MATERIALS; EXCITONS; GEOMETRY; GREEN'S FUNCTION; LIGHT ABSORPTION; LIGHT POLARIZATION; MATHEMATICAL MODELS; OLIGOMERS; OPTIMIZATION; ORGANIC POLYMERS;

BUILDING BLOCKS; CONVERGENCE TESTS; FREE ELECTRONS; RANDOM PHASE APPROXIMATION;

MOLECULAR CRYSTALS;

EID: 2542487751     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.147402     Document Type: Article

References (38)

1. H. Shirakawa et al., J. Chem. Soc. Chem. Commun. No. 16, 578 (1977).
2. C. K. Chiang et al., Phys. Rev. Lett. 39, 1098 (1977).
3. D. M. Ivory et al., J. Chem. Phys. 71, 1506 (1979).
4. G. Grem et al., Adv. Mater. 4, 36 (1992).
5. J. H. Burroughes et al., Nature (London) 347, 539 (1990).
6. A. J. Heeger, Synth. Met. 125, 23 (2002).
7. R. Friend et al., Nature (London) 397, 121 (1999).
8. D. Moses et al., Chem. Phys. Lett. 350, 531 (2001).
9. Z. Shuai et al., Phys. Rev. Lett. 84, 131 (2000).
10. D. Moses et al., Synth. Met. 125, 93 (2002).
11. A. Ruini et al., Phys. Rev. Lett. 88, 206403 (2002).
12. P. Puschnig and C. Ambrosch-Draxl, Phys. Rev. Lett. 89, 056405 (2002).
13. E. A. Silinsh, Organic Molecular Crystals (Springer-Verlag, Berlin, Heidelberg, New York, 1980).
14. M. Pope and C. E. Swenberg, Electronic Processes in Organic Crystals and Polymers (Oxford University Press, New York, 1999).
15. C. Hosokawa, H. Higashi, and T. Kusumoto, Appl. Phys. Lett. 62, 3238 (1993).
16. J. Cornil, D. Beljonne, and J. L. Brédas, J. Chem. Phys. 103, 834 (1995).
17. L. Torsi et al., Science 272, 1462 (1996).
18. K. Waragai et al., Phys. Rev. B 52, 1786 (1995).
19. S. Nelson et al., Appl. Phys. Lett. 72, 1854 (1998).
20. L. Torsi et al., Solid-State Electron. 45, 1479 (2001).
21. A. S. Davydov, Theory of Molecular Excitons (Plenum Press, New York, 1971).
22. D. W. Schlosser and M. R. Philpott, Chem. Phys. 49, 181 (1980).
23. M. Oehzelt, R. Resel, and A. Nakayama, Phys. Rev. B 66, 174104 (2002).
24. K. Hummer, P. Puschnig, and C. Ambrosch-Draxl, Phys. Rev. B 67, 184105 (2003).
25. E. Sjöstedt, L. Nordström, and D. J. Singh, Solid State Commun. 114, 15 (2000).
26. R. Blaha et al., in WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Vienna University of Technology, Vienna, 2001).
27. K. Hummer et al., Synth. Met. 137, 935 (2003).
28. M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 82, 1959 (1999).
29. L. Sham and T. Rice, Phys. Rev. 144, 708 (1966).
30. P. Puschnig and C. Ambrosch-Draxl, Phys. Rev. B 66, 165105 (2002).
31. K. Hummer, P. Puschnig, and C. Ambrosch-Draxl, Phys. Scr. (to be published).
32. M. Kobayashi, K. Mizuno, and A. Matsui, J. Phys. Soc. Jpn. 58, 809 (1989).
33. We have verified this assignment by calculating the c components of the optical conductivity, the extinction coefficient, and the optical absorption coefficient.
34. L. E. Lyons and G. C. Morris, J. Chem. Soc. 1551 (1959).
35. S. Wiederhorn and H. G. Drickamer, J. Phys. Chem. Solids 9, 330 (1959).
36. R. Sonnenschein, K. Syassen, and A. Otto, J. Chem. Phys. 74, 4315 (1981).
37. L. Hedin, Phys. Rev. 139, A796 (1965).
38. G. Brocks, P. J. Kelly, and R. Car, Synth. Met. 57, 4243 (1993).