Many-body effects on the electronic and optical properties of Si nanowires from ab initio approaches

Physica Status Solidi (B) Basic Research

Volumn 247, Issue 8, 2010, Pages 2089-2095

  Palummo, M ^a   Ossicini, S ^b   Del Sole, R ^a  

^a INFM   (Italy)

^b UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

Many body theory; Nanowires; Optical properties; Silicon

Indexed keywords

EID: 77956530489     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.200983958     Document Type: Article

References (45)

1. Y. Cui, L.J. Lauhon, M.S. Gudiksen, J. Wang, and C.M. Lieber, Appl. Phys. Lett. 78, 02214 (2001).
2. Y. Wu, Y. Cui, L. Huynh, C.J. Barrelet, D.C. Bell, and C.M. Lieber, Nano Lett. 4, 433 (2004).
3. X. Duan, Y. Huang, Y. Cui, J. Wang, and C.M. Lieber, Nature 409, 066 (2001).
4. R. Rurali, Rev. Mod. Phys. 82, 427 (2010).
5. M. Bruno, M. Palummo, A. Marini, R. Del Sole, and S. Ossicini, Phys. Rev. Lett. 98, 036807-1 (2007).
6. M. Bruno, M. Palummo, R. Del Sole, and S. Ossicini, Surf. Sci. 601, 277 (2007).
7. M. Palummo, M. Bruno, O. Pulci, E. Luppi, E. Degoli, S. Ossicini, and R. Del Sole, Surf. Sci. 601, 2696 (2007).
8. M. Palummo, F. Iori, R. Del Sole, and S. Ossicini, Phys. Rev. B 81, 121303 (2010).
9. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
10. W. Kohn, L.J. Sham, Phys. Rev. 140, A1113 (1965).
11. E.K.U. Gross and M.A.L. Marques, Annu. Rev. Phys. Chem. 55, 427 (2005).
12. G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002).
13. A. Seidl, A. Görlig, P. Vogl, J.A. Majewski, and M. Levy, Phys. Rev. B 53, 3764 (1996).
14. M. Gruning, A. Marini, and A. Rubio, Phys. Rev. B. 74, 161103(R) (2006).
15. P. Giannozzi, Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See http://www.quantum-espresso.org and http://www.pwscf.org.Phys. Status Solidi B 247, No. 8 (2010) 2095.
16. N. Troullier and J.L. Martins, Phys. Rev. B 43, 19993 (1991).
17. A.B. Filonov, G.V. Petrov, V.A. Novikov, and V.E. Borisenko, Appl. Phys. Lett. 67, 1090 (1995).
18. A.N. Kholod, A. Saul, J.D. Fuhr, V.E. Borisenko, and F. A. d'Avitaya, Phys. Rev. B 62, 12949 (2000).
19. R. Rurali and N. Lorente, Phys. Rev. Lett. 94, 026805 (2005).
20. D.D.D. Ma, C.S. Lee, F.C.K. Au, S.Y. Tong, and S.T. Lee, Science 299, 1874 (2003).
21. X. Zhao, C.M. Wei, L. Yang, and M.Y. Chou, Phys. Rev. Lett. 92, 236805 (2004).
22. Li. Yang, C.D. Spataru, S.G. Louie, and M.Y. Chou, Phys. Rev. B 75, 201304 (2007).
23. L. Hedin, Phys. Rev. 139, A796 (1965).
24. F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. 61, 237 (1998).
25. M.S. Hybertsen and S.G. Louie, Phys. Rev. B 35, 5585 (1987).
26. R.W. Godby, M. Schlüter, and L.J. Sham, Phys. Rev. B 37, 10159 (1988).
27. G. Onida, L. Reining, and R.W. Godby, Phys. Rev. B 56, R4301 (1997).
28. A. Marini, C. Hogan, M. Grüning, and D. Varsano, Comput. Phys. Commun. 180, 1392 (2009).
29. O. Pulci, G. Onida, R. Del Sole, and L. Reining, Phys. Rev. Lett. 81, 5374 (1998).
30. R. Del Sole and E. Fiorino, Phys. Rev. B 29, 4631 (1984).
31. B. Wenzien, G. Cappellini, and F. Bechstedt, Phys. Rev. B 51, 14701 (1995).
32. A.G. Marinopoulos, L. Reining, A. Rubio, and N. Vast, Phys. Rev. Lett. 91, 046402 (2003).
33. C.D. Spataru, S. Ismail-Beigi, L.X. Benedict, and S.G. Louie, Appl. Phys. A 78, 1129 (2004).
34. C.A. Rozzi, D. Varsano, A. Marini, E.K.U. Gross, and A. Rubio, Phys. Rev. B 73, 205119 (2006).
35. Here the Coulomb interaction is defined to be equal to zero outside an infinite tube of squared section around the wire axis, where the square side is at least the double of the NW diameter. Differently from the cylindrical cutoff [33] this box-like cutoff involves a random integration over the BZ [27].
36. F. Bruneval, S. Botti, and L. Reining, Phys. Rev. Lett. 94, 219701 (2005).
37. B. Aradi, L.E. Ramos, P. Dek, Th. Khler, F. Bechstedt, R.Q. Zhang, and Th. Frauenheim, Phys. Rev. B 76, 035305 (2007).
38. N. Wang et al., Nature 408, 50 (2000).
39. D. Kovalev, Phys. Rev. Lett. 77, (1996. (2089).
40. M. Cazzanelli, D. Kovalev, L.D. Negro, Z. Gaburro, and L. Pavesi, Phys. Rev. Lett. 93, 207402 (2004).
41. M. Rohlfing and S. Louie, Phys. Rev. B 62, 4927 (2000).
42. We have verified that in order to overcome the so-called Tamm-Dancoff approximation [11,40], which means to neglect the interaction between the resonant and antiresonant blocks of the excitonic hamiltonian, does not produce important effects on the calculated absorption spectra for light polarized along the wire axis. As envisaged in ref.[42], for carbon nanotubes, the situation could change for different light polarization.
43. M. Gruning, A. Marini, and X. Gonze, Nanoletters 9, 2820 (2009).
44. P.D.J. Calcott, K.J. Nash, L.T. Canham, M.J. Kane, and D. Brumhead, J. Phys. Condens. Matter 5, L91 (1993).
45. L. Wirtz, A. Marini, and A. Rubio, Phys. Rev. Lett. 96, 126104 (2006).