Electronic structure of defect centers P1, P2, and P4 in P-doped SiO2

Journal of Physical Chemistry B

Volumn 105, Issue 26, 2001, Pages 6097-6102

  Pacchioni, Gianfranco ^a   Erbetta, Davide ^a   Ricci, Davide ^a   Fanciulli, Marco ^b  

^a Istituto Nazionale per la Fisica della Materia Milan   (Italy)

^b LABORATORIO MDM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRON TRAPS; ELECTRONIC STRUCTURE; GROUND STATE; HOLE TRAPS; PHOSPHORUS; POINT DEFECTS; PROBABILITY DENSITY FUNCTION; QUARTZ; SEMICONDUCTOR DOPING;

DOUBLE BONDS;

SILICA;

EID: 84961971238     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0101965     Document Type: Article

References (33)

1. 2 and Other Dielectrics: Science and Technology; NATO Science Series II; Kluwer: Dordrecht, 2000; Vol 2.
2. Symons, M.C.R. J. Chem. Phys. 1970, 53, 857.
3. Uchida, Y. J. Phys. Soc. Jpn. 1977, 42, 1937.
4. Uchida, Y.; Isoya, J.; Weil, J.A. J. Phys. Chem. 1979, 83, 3462.
5. Griscom, D.L.; Friebele, E.J.; Long, K.J.; Fleming, J.W. J. Appl. Phys. 1983, 54, 3743.
6. Warren, W.L.; Shaneyfelt, M.R.; Fleetwood, D.M.; Winokur, P.S. Appl. Phys. Lett. 1995, 67, 995.
7. Hosono, H.; Abe, Y.; Kawazoe, H. J. Non-Cryst. Solids 1985, 71, 261.
8. Kawazoe, H.; Kohketsu, M.; Watanabe, Y.; Shibuya, K.; Muta, K. Mater. Res. Soc. Symp. Proc. 1986, 61, 339.
9. O'Keeffe, M.; Domengès, B.; Gibbs, G.V. J. Phys. Chem. 1985, 89, 2304.
10. Laegsgaard, J.; Stokbro, K. Phys. Rev. B 2000, 61, 12590.
11. Fanciulli, M.; Bonera, E.; Frigoli, F.; Pacchioni, G. To be published.
12. Le Page, Y.; Calvert, L.D.; Gabe, E.J. J. Phys. Chem. Solids 1980, 41, 721.
13. Pacchioni, G.; Ieranò, G. Phys. Rev. B 1997, 56, 7304.
14. Pacchioni, G.; Ieranò, G. Phys. Rev. Lett. 1997, 79, 753.
15. Pacchioni, G.; Ieranò, G. Phys. Rev. B 1998, 57, 818.
16. Pacchioni, G.; Ieranò, G.; Marquez, A.M. Phys. Rev. Lett. 1998, 81, 377.
17. Pacchioni, G.; Ferrario, R. Phys. Rev. B 1998, 58, 6090.
18. Pacchioni, G.; Vitiello, M. Phys. Rev. B 1998, 58, 7745.
19. Pacchioni, G.; Basile, A. Phys. Rev. B 1999, 60, 9990.
20. Pacchioni, G. In ref 1, p 161.
21. Ditchfield, R.; Hehre, W.J.; Pople, J.A. J. Chem. Phys. 1971, 54, 724.
22. Here, W.J.; Ditchfield, R.; Pople, J.A. J. Chem. Phys. 1972, 56, 2257.
23. Becke, A.D. J. Chem. Phys. 1993, 98, 5648.
24. Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1998, 37, 785.
25. Pacchioni, G.; Frigoli, F.; Ricci, D.; Weil, J.A. Phys. Rev. B, 2001, 63, 054102.
26. Weil, J.A.; Bolton, J.R.; Wertz, J.E. Electron Paramagnetic Resonance; John Wiley & Sons: New York, 1994.
27. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1997.
28. Mott, N.F. J. Non-Cryst. Solids 1980, 40, 1.
29. CRC Handbook of Chemistry and Physics; CRC Press: Boca Raton, FL, 1994.
30. Erbetta, D.; Ricci, D.; Pacchioni, G. J. Chem. Phys. 2000, 113, 10744.
31. Miertus, S.; Scroceo, E.; Tomasi, J. Chem. Phys. 1981, 55, 117.
32. Pacchioni, G.; Mazzeo, C. Phys. Rev. B 2000, 62, 5452.
33. Karna, S. Personal communication.