Doping in silicon nanocrystals: An ab initio study of the structural, electronic and optical properties

Journal of Luminescence

Volumn 121, Issue 2 SPEC. ISS., 2006, Pages 335-339

  Iori, Federico ^a   Degoli, Elena ^a   Luppi, Eleonora ^a   Magri, Rita ^a   Marri, Ivan ^a   Cantele, G ^b   Ninno, D ^b   Trani, F ^b   Ossicini, Stefano ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

Doping; Luminescence; Nanocrystals

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; PHOTOLUMINESCENCE; SEMICONDUCTING SILICON; SEMICONDUCTOR DOPING;

IMPURITY-BASED ENGINEERING; NANOCRYSTALS; OPTICAL THRESHOLD; STRUCTURAL DEFORMATIONS;

NANOSTRUCTURED MATERIALS;

EID: 33750967043     PISSN: 00222313     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jlumin.2006.08.062     Document Type: Article

References (17)

1. Ossicini S., Pavesi L., and Priolo F. Light Emitting Silicon for Microphotonics, STMP 194 (2003), Springer, Berlin
2. Bisi O., Ossicini S., and Pavesi L. Surf. Sci. Rep. 38 (2000) 5
3. Dal Negro L., Cazzanelli M., Pavesi L., Ossicini S., Pacifici D., Franzò G., and Priolo F. Appl. Phys. Lett. 82 (2003) 4636
4. Ruan J., Fauchet P.M., Dal Negro L., Cazzanelli M., and Pavesi L. Appl. Phys. Lett. 83 (2003) 5479
5. Cazzanelli M., Kovalev D., Dal Negro L., Gaburro Z., and Pavesi L. Phys. Rev. Lett. 93 (2004) 207042
6. Fujii M., Yamaguchi Y., Takase Y., Ninomiya K., and Hayashi S. Appl. Phys. Lett. 87 (2005) 211919
7. Fujii M., Toshikiyo K., Takase Y., Yamaguchi Y., and Hayashi S. J. Appl. Phys. 94 (2003) 1990
8. Fujii M., Yamaguchi Y., Takase Y., Ninomiya K., and Hayashi S. Appl. Phys. Lett. 85 (2004) 1158
9. Melnikov D.V., and Chelikowsky J.R. Phys. Rev. Lett. 92 (2004) 046802
10. Cantele G., Degoli E., Luppi E., Magri R., Ninno D., Iadonisi G., and Ossicini S. Phys. Rev. B 72 (2005) 113303
11. Zhou Z., Steigerwald M.L., Friesner R.A., Brus L., and Hybertsen M.S. Phys. Rev. B 71 (2005) 245308
12. Ossicini S., Degoli E., Iori F., Luppi E., Magri R., Cantele G., Trani F., and Ninno D. Appl. Phys. Lett. 87 (2005) 173120
13. S. Baroni et al. 〈www.quantum-espresso.org〉.
14. Vanderbilt D. Phys. Rev. B 41 (1990) R7892
15. 3v one while an almost Td symmetry is preserved for isovalent and pentavalent impurities. A role seems to be played also by the impurity dimension: in B-doped, C-doped and N-doped clusters, the Si-impurity bond lengths are shorter with respect to typical Si-Si bond-length in the undoped cluster while the Si-P, Si-Al and Si-Ge distances are slightly larger. An extensive study can be found in L.E. Ramos, E. Degoli, G. Cantele, S. Ossicini, D. Ninno, J. Furthmuller, F. Bechstedt Phys. Rev. B, submitted.
16. Degoli E., Cantele G., Luppi E., Magri R., Ninno D., Bisi O., and Ossicini S. Phys. Rev. B 69 (2004) 155411
17. 50 crystal for B, and the orthorhombic black phosphorus for P.