Optical absorption of hexagonal Boron nitride and BN nanotubes

AIP Conference Proceedings

Volumn 786, Issue , 2005, Pages 391-395

  Wirtz, Ludger ^a   Marini, Andrea ^b   Rubio, Angel ^c,d  

^a INSTITUT D ELECTRONIQUE   (France)

^b UNIVERSITY OF ROME TOR VERGATA   (Italy)

^c UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^d DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

Author keywords

Bethe Salpeter equation; BN nanotubes; Excitonic effects; GW approximation

Indexed keywords

EID: 33749678635     PISSN: 0094243X     EISSN: 15517616     Source Type: Conference Proceeding    
DOI: 10.1063/1.2103894     Document Type: Conference Paper

References (21)

1. C. Tarrio and S. E. Schnatterly, Phys. Rev. B 40, 7852 (1989).
2. J. S. Lauret et al., Phys. Rev. Lett. 94, 037405 (2005).
3. Y. Xu and W. Y. Ching, Phys. Rev. B 44, 7787 (1991).
4. G. Cappellini, G. Satta, M. Palummo, and G. Onida, Phys. Rev. B 64, 035104 (2001).
5. A. Rubio, J. L. Corkill, and M. L. Cohen, Phys. Rev. B 49, R5081 (1994);
6. X. Blase, A. Rubio, S. G. Louie, and M. L. Cohen, Europhys. Lett 28, 335 (1994).
7. N. G. Chopra et al., Science 269, 966 (1995).
8. L. Wirtz, V. Olevano, A. G. Marinopoulos, L. Reining, and A. Rubio, AIP Conf. Proc. 685, 406 (2003).
9. A. G. Marinopoulos et al., and L. Reining, Appl. Phys. A 78, 1157 (2004).
10. G.Y. Guo and J.C. Lin, Phys. Rev. B 71, 165402 (2005).
11. C. D. Spataru et al., Phys. Rev. Lett. 92, 077402 (2004);
12. Appl. Phys. A 78, 1129 (2004).
13. E. Chang, G. Bussi, A. Ruini, and E. Molinari, Phys. Rev. Lett. 92, 196401 (2004).
14. X. Gonze et al., Comp. Mat. Sci. 25, 478 (2002).
15. See, e.g, G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002).
16. X. Blase, A. Rubio, S.G. Louie and M. L. Cohen, Phys. Rev. B 51, 6868 (1995)
17. G. G. Fuentes et al., Phys. Rev. B 67, 035429 (2003).
18. SELF, written by A. Marini (http://people.roma2.infn.it/marini/self/)
19. Energy minimization leads to a bond-length of 1.441 Å and an inter-sheet distance of 3.251 Å. Energies and wave-functions are evaluated with an energy cutoff at 25 Hartree, using a 40×40×12 Monkhorst-Pack grid in reciprocal space. In the GW and BS calculations, we used a 16×16×6 Monkhorst-Pack sampling which is sufficient to converge the dominant discrete excitonic peaks. Unoccupied states with energies up to 40 eV above the band-gap are included.
20. The tubes are geometry-optimized. For the GW+BS calculations, the 1-D Brillouin zone is sampled by 20 k-points (corresponding to 11 irreducible k-points). Convergence of the spectra with respect to this number was checked numerically.
21. C. Delerue, G. Allan, and M. Lannoo, Phys. Rev. Lett. 90, 076803 (2003)