Bound excitons and optical properties of bulk trans-polyacetylene

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 19, 2004, Pages 1-4

  Tiago, Murilo L ^a,b,d   Rohlfing, Michael ^c   Louie, Steven G ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c JACOBS UNIVERSITY BREMEN   (Germany)

^d University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

POLYACETYLENE; POLYMER;

ABSORPTION SPECTROSCOPY; ARTICLE; ELECTRON; ELECTRONICS; ENERGY; EXCITON; FILM; MATHEMATICAL ANALYSIS; MEASUREMENT; OPTICS; SPECTRUM;

EID: 12344311962     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.193204     Document Type: Article

References (35)

1. A. J. Heeger, S. Kivelson, J. R. Schrieffer, and W.-P. Su, Rev. Mod. Phys. 60, 781 (1988).
2. Primary Photoexcitations in Conjugated Polymers, edited by N. S. Sariciftci (World Scientific, Singapore, 1997).
3. M. Chandross, Y. Shimoi, and S. Mazumdar, Synth. Met. 85, 1001 (1997); Phys. Rev. B 59, 4822 (1999).
4. M. Chandross, Y. Shimoi, and S. Mazumdar, Synth. Met. 85, 1001 (1997); Phys. Rev. B 59, 4822 (1999).
5. N. Kirova, S. Brazovskii, and A. R. Bishop, Synth. Met. 100, 29 (1999).
6. M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 82, 1959 (1999).
7. J.-W. van der Horst, P. A. Bobbert, M. A. J. Michels, G. Brocks, and P. J. Kelly, Phys. Rev. Lett. 83, 4413 (1999); J.-W. van der Horst, P. A. Bobbert, P. H. L. de Jong, M. A. J. Michels, G. Brocks, and P. J. Kelly, Phys. Rev. B 61, 15 817 (2000).
8. J.-W. van der Horst, P. A. Bobbert, M. A. J. Michels, G. Brocks, and P. J. Kelly, Phys. Rev. Lett. 83, 4413 (1999); J.-W. van der Horst, P. A. Bobbert, P. H. L. de Jong, M. A. J. Michels, G. Brocks, and P. J. Kelly, Phys. Rev. B 61, 15 817 (2000).
9. J.-W. van der Horst, P. A. Bobbert, M. A. J. Michels, and H. Bässler, J. Chem. Phys. 114, 6950 (2001); J.-W. van der Horst, P. A. Bobbert, W. F. Pasveer, M. A. J. Michels, G. Brocks, and P. J. Kelly, Comput. Phys. Commun. 147, 331 (2002).
10. J.-W. van der Horst, P. A. Bobbert, M. A. J. Michels, and H. Bässler, J. Chem. Phys. 114, 6950 (2001); J.-W. van der Horst, P. A. Bobbert, W. F. Pasveer, M. A. J. Michels, G. Brocks, and P. J. Kelly, Comput. Phys. Commun. 147, 331 (2002).
11. A. Ruini, M. J. Caldas, G. Bussi, and E. Molinari, Phys. Rev. Lett. 88, 206403 (2002); A. Ruini, F. Rossi, U. Hohenester, E. Molinari, R. B. Capaz, and M. J. Caldas, Synth. Met. 119, 257 (2001).
12. A. Ruini, M. J. Caldas, G. Bussi, and E. Molinari, Phys. Rev. Lett. 88, 206403 (2002); A. Ruini, F. Rossi, U. Hohenester, E. Molinari, R. B. Capaz, and M. J. Caldas, Synth. Met. 119, 257 (2001).
13. P. Puschnig and C. Ambrosch-Draxl, Phys. Rev. Lett. 89, 056405 (2002); Synth. Met. 135-136, 415 (2003).
14. P. Puschnig and C. Ambrosch-Draxl, Phys. Rev. Lett. 89, 056405 (2002); Synth. Met. 135-136, 415 (2003).
15. D. Moses, A. Dogariu, and A. J. Heeger, Chem. Phys. Lett. 316, 356 (2000); J. M. Leng, S. Jeglinski, X. Wei, R. E. Benner, Z. V. Vardeny, F. Guo, and S. Mazumdar, Phys. Rev. Lett. 72, 156 (1994); P. B. Miranda, D. Moses, and A. J. Heeger, Phys. Rev. B 64, 081201 (2001).
16. D. Moses, A. Dogariu, and A. J. Heeger, Chem. Phys. Lett. 316, 356 (2000); J. M. Leng, S. Jeglinski, X. Wei, R. E. Benner, Z. V. Vardeny, F. Guo, and S. Mazumdar, Phys. Rev. Lett. 72, 156 (1994); P. B. Miranda, D. Moses, and A. J. Heeger, Phys. Rev. B 64, 081201 (2001).
17. D. Moses, A. Dogariu, and A. J. Heeger, Chem. Phys. Lett. 316, 356 (2000); J. M. Leng, S. Jeglinski, X. Wei, R. E. Benner, Z. V. Vardeny, F. Guo, and S. Mazumdar, Phys. Rev. Lett. 72, 156 (1994); P. B. Miranda, D. Moses, and A. J. Heeger, Phys. Rev. B 64, 081201 (2001).
18. M. S. Hybertsen and S. G. Louie, Phys. Rev. B 34, 5390 (1986).
19. G. Strinati, Riv. Nuovo Cimento 11, 1 (1988).
20. G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002), and references therein.
21. M. Rohlfing and S. G. Louie, Phys. Rev. B 62, 4927 (2000).
22. P. Vogl and D. K. Campbell, Phys. Rev. Lett. 62, 2012 (1989); Phys. Rev. B 41, 12 797 (1990).
23. P. Vogl and D. K. Campbell, Phys. Rev. Lett. 62, 2012 (1989); Phys. Rev. B 41, 12 797 (1990).
24. E. C. Ethridge, J. L. Fry, and M. Zaider, Phys. Rev. B 53, 3662 (1996).
25. R. M. Dreizler and E. K. U. Gross, Density Functional Theory: An Approach to the Quantum Many-Body Problem (Springer-Verlag, Berlin, 1990).
26. Y. B. Moon, M. Winokur, A. J. Heeger, J. Barker, and D. C. Bott, Macromolecules 20, 2457 (1987); H. Kahlert, O. Leitner, and G. Leising, Synth. Met. 17, 467 (1987).
27. Y. B. Moon, M. Winokur, A. J. Heeger, J. Barker, and D. C. Bott, Macromolecules 20, 2457 (1987); H. Kahlert, O. Leitner, and G. Leising, Synth. Met. 17, 467 (1987).
28. Q. Zhu, J. E. Fischer, R. Zuzok, and S. Roth, Solid State Commun. 83, 179 (1992).
29. G. Leising, Phys. Rev. B 38, 10 313 (1988).
30. W. Barford, R. J. Bursill, and M. Yu. Lavrentiev, Phys. Rev. B 63, 195108 (2001).
31. B. E. Kohler, J. Chem. Phys. 88, 2788 (1988).
32. M. Pope and C. E. Swenberg, Electronic Processes in Organic Crystals and Polymers, 2nd ed. (Oxford University Press, Oxford, 1999).
33. C. D. Spataru, S. Ismail-Beigi, L. X. Benedict, and S. G. Louie, Phys. Rev. Lett. 92, 077402 (2004).
34. c′v′k′ destroys the one-to-one correspondence between those solutions. As a result, the only meaningful definition of binding energy involves the lowest RPA excitation energy between bands c and v included in Eq. (2) which, for the present system, is the electronic gap.
35. We did not observe a similar pair of singlet state because the splitting of energy bands, 0.2 eV, is comparable to the binding energy of that state.