Ab initio calculation of the dynamical properties of PPP and PPV

Brazilian Journal of Physics

Volumn 36, Issue 2 A, 2006, Pages 501-504

  De Sousa, R L ^a   Alves, H W Leite ^a  

^a Univ Fed De São J   (Brazil)

Author keywords

Ab initio calculation; Ppp and ppv; Vibrational modes

Indexed keywords

EID: 33746079240     PISSN: 01039733     EISSN: 01039733     Source Type: Journal    
DOI: 10.1590/s0103-97332006000300072     Document Type: Conference Paper

References (20)

1. J. H. Burroughes, D. D. C. Bradley, A. R. Brown, R. N. Marks, K. Mackay, R. H. Friend, P. L. Burns, and A. B. Holmes, Nature 347, 539 (1990).
2. A. Ruini, M. J. Caldas, G. Bussi, and E. Molinari, Phys. Rev. Lett. 88, 206403 (2002).
3. L. W. Shackelette, R. R. Chance, D. M. Ivory, G. G. Miller, and R. H. Baughman, Synth. Met. 1, 307 (1979).
4. Y. Pelous, G. Froyer, C. Herald, and S. Lefrant, Synth. Met. 29, E17 (1989).
5. Y. Furukawa, H. Ohta, A. Sakamoto, and M. Tatsumi, Spectrochim. Acta 47A, 1367 (1991).
6. A. Sakamoto, Y. Furukawa, and M. Tatsumi, J. Phys. Chem. 96, 1490 (1992).
7. I. Orion, J. P. Buisson, and S. Lefrant, Phys. Rev. B50, 7050 (1998).
8. E. Mulazzi, A. Ripamonti, J. Wery, B. Dulieu, and S. Lefrant, Phys. Rev. B60, 16519 (1999).
9. L. Cuff and M. Kertesz, Macromol. 27, 762 (1994).
10. J. Gierschner, H.-G. Mack, L. Lüer, and D. Oelkrug, J. Chem. Phys., 116, 8596 (2002).
11. R. B. Capaz and M. J. Caldas, Phys. Rev. B67, 205205 (2003).
12. X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, and D. C. Allan, Comput. Mater. Sci. 25, 478 (2002), and references therein.
13. M. Fuchs and M. Scheffler, Comp, Phys. Commun. 119, 67 (1999).
14. R. L. de Sousa, J. L. A. Alves, and H. W. Leite Alves, Mater. Sci. Eng. C24, 601 (2004).
15. th International Conference on the Physics of Semiconductors, AIP Conference Proceedings vol. 772, edited by J. Menéndez and C. G. Van de Walle, p. 1069, 2005.
16. X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001).
17. H. Rydberg, M. Dion, N. Jacobson, E. Schröder, P. Hyldgaard, S. I. Simak, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 91, 126402 (2003).
18. P. Gomes da Costa, R. G. Dandrea, and E. M. Conwell, Phys. Rev. 847, 1800 (1993).
19. C. Ambrosch-Draxl, J. A. Majewski, P. Vogl, and G. Leising, Phys. Rev. B 51, 9668 (1995).
20. C. A. M. Borges, A. Marletta, R. M. Faria, and F. E. G. Guimarães, Braz. J. Phys. 34, 590 (2004).