Multiple Si=0 bonds at the silicon cluster surface

Journal of Applied Physics

Volumn 94, Issue 3, 2003, Pages 2130-2131

  Luppi, Marcello ^a   Ossicini, Stefano ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BANDWIDTH; COMPUTER SIMULATION; ENERGY GAP; OPTOELECTRONIC DEVICES; OXIDATION; PHOTOLUMINESCENCE; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR QUANTUM DOTS; SILICON;

PHOTOLUMINESCENCE REDSHIFT;

CHEMICAL BONDS;

EID: 0041509128     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1586954     Document Type: Article

References (22)

1. L. C. Kimerling, Appl. Surf. Sci. 159-160, 8 (2000).
2. O. Bisi, S. Ossicini, and L. Pavesi, Surf. Sci. Rep. 38, 5 (2000).
3. L. Pavesi, L. Dal Negro, C. Mazzoleni, G. Franz, and F. Priolo, Nature (London) 408, 440 (2000).
4. R. J. Baierle, M. J. Caldas, E. Molinari, and S. Ossicini, Solid State Commun. 102, 545 (1997).
5. M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 80, 3320 (1998).
6. I. Vasiliev, S. Ogut, and J. R. Chelikowsky, Phys. Rev. Lett. 86, 1813 (2001),
7. C. S. Garoufalis, D. Zdetsis, and S. Grimme, Phys. Rev. Lett. 87, 276402 (2001).
8. S. Schuppler, S. L. Friedman, M. A. Marcus, D. L. Adler, Y. H. Xie, F. M. Ross, Y. J. Chabal, T. D. Harris, L. E. Brus, W. L. Brown, E. E. Chaban, P. F. Szajowski, S. B. Christman, and P. H. Citrin, Phys. Rev. B 52, 4910 (1995).
9. T. van Buuren, L. N. Dinh, L. L. Chase, W. J. Siekhaus, and L. J. Terminello, Phys. Rev. Lett. 80, 3803 (1998).
10. M. V. Wolkin, J. Jorne, P. M. Fauchet, G. Allan, and C. Delerue, Phys. Rev. Lett. 82, 197 (1999).
11. M. J. Caldas, Phys. Status Solidi B 217, 641 (2000).
12. A. Puzder, A. J. Williamson, J. C. Grossman, and G. Galli, Phys. Rev. Lett. 88, 097401 (2002).
13. A. B. Filonov, S. Ossicini, F. Bassani, and F. A. D'Avitaya, Phys. Rev. B 65, 195317 (2002).
14. I. Vasiliev, J. R. Chelikowsky, and R. M. Martin, Phys. Rev. B 65, 121302(R) (2002).
15. M. Luppi and S. Ossicini, Phys. Status Solidi A 197, 251 (2003)
16. CAmbridge Serial Total Energy Package, Version 4.2.1.
17. V. Milman, B. Winkler, J. A. White, C. J. Pickard, M. C. Payne, E. V. Akhmatskaya, and R. H. Nobes, Int. J. Quantum Chem. 77, 895 (2000).
18. Materials Studio 2.1.5 Users Guide, Accelrys, Inc. (2002).
19. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
20. Kinetic energy cutoff for plane wave expansion was set at 380 eV. All atomic positions and cell parameters were free to relax. The tolerance for force on atoms was 0.05 eV/Å. Pulay density mixing minimizer (see Refs. 17 and 18) was used for obtaining the electronic energy ground state, while the Broyden-Fletcher-Goldfarb-Shanno (see Refs. 17 and 18) approach was used for geometry optimization. For the electronic and optical properties at relaxed geometry a band by band electronic energy minimization method was applied. Supercell of different dimensions were used to avoid interaction between the repeated clusters.
21. R. Sammynaiken, S. J. Naftel, T. K. Shamb, K. W. Cheah, B. Averboukh, R. Huber, Y. R. Shen, G. G. Qin, Z. C. Ma, and W. H. Zong, J. Appl. Phys. 92, 3000 (2002).
22. J. Valenta, R. Juhasz, and J. Linnros, Appl. Phys. Lett. 80, 1070 (2002).