Atomic silicon in siloxanic networks: The nature of the oxo-oxygen-silicon bond

Inorganic Chemistry

Volumn 44, Issue 5, 2005, Pages 1381-1390

  Belanzoni, P ^a   Giorgi, G ^a   Cerofolini, G F ^b   Sgamellotti, A ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

^b STMICROELECTRONICS   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

OXYGEN; SILOXANE;

ARTICLE; ATOM; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; METHODOLOGY; MOLECULAR MODEL;

EID: 14744290763     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic048927d     Document Type: Article

References (22)

1. Maier, G.; Reisenauer, H. P.; Egenolf, H.; Glatthaar, J. Silicon Chemistry - From the Atom to Extended Systems; Jutzi, P., Schubert, U., Eds.; Wiley-VCH: New York, 2003; p 4.
2. Kageshima, H.; Shiraishi, K. Phys. Rev. Lett. 1998, 81, 5936.
3. Kageshima, H.; Shiraishi, K.; Uematsu, M. Jpn. J. Appl. Phys. 1999, 38, L971.
4. Gusev, E. P.; Lu, H. C.; Gustafsson, T.; Garfunkel, E. Phys. Rev. B 1995, 52, 1759.
5. Baumvol, I. J. R.; Gusev, E. P.; Stedile, F. C.; Freire, F. L., Jr.; Green, M. L.; Brasen, D. Appl. Phys. Lett. 1998, 72, 450.
6. Zandvliet, H. J. W.; Poelsema, B.; Swartzentruber, B. S. Phys. Today 2001 54, 40.
7. Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 42.
8. ADF2002.01; SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands, http://www.scm.com.
9. te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A.; Fonseca Guerra, C.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
10. Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chem. Acc. 1998, 99, 391.
11. te Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84.
12. Ceperley D. M.; Alder, B. J. Phys. Rev. Lett. 1980, 45, 566.
13. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
14. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
15. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
16. Perdew, J. P. Phys. Rev. B 1986, 34, 7406.
17. (a) Morokuma, K. J. Chem. Phys. 1971, 55, 1236.
18. (b) Kitaura, K.; Morokuma, K. Int. J. Quantum Chem. 1976, 10, 325.
19. Ziegler, T.; Rauk, A. Theor. Chim. Acta 1977, 46, 1.
20. Baerends, E. J.; Branchadell, V.; Sodupe, M. Chem. Phys. Lett. 1997, 265, 481.
21. (a) Deák, P.; Snyder, L. C.; Corbett, J. W. Phys. Rev. Lett. 1991, 66, 747.
22. (b) Deák, P.; Snyder, L. C.; Corbett, J. W. Phys. Rev. B 1992, 45, 11612.