DIET in the bulk: Evidence for hot electron cleavage of Si-H bonds in SiO2 films

Surface Science

Volumn 390, Issue 1-3, 1997, Pages 112-118

  Jennison, D R ^a   Sullivan, J P ^a   Schultz, P A ^a   Sears, M P ^a   Stechel, E B ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Amorphous thin films; Atomistic dynamics; Density functional calculations; Electron solid interactions; Electron stimulated desorption; Silicon oxides

Indexed keywords

AMORPHOUS FILMS; ATOMIC PHYSICS; BAND STRUCTURE; DESORPTION; ELECTRON RESONANCE; HOT CARRIERS; HYDROGEN BONDS; LEAKAGE CURRENTS; MATHEMATICAL MODELS; SILICA;

BOND SCISSION; DENSITY FUNCTIONAL THEORY; DESORPTION INDUCED BY ELECTRONIC TRANSITIONS (DIET); ELECTRON SOLID INTERACTIONS; ELECTRON STIMULATED DESORPTION (ESD); MORSE POTENTIAL MODEL;

ELECTRON TRANSITIONS;

EID: 0031271947     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00527-X     Document Type: Article

References (33)

1. D.J. DiMaria, J.W. Stasiak, J. Appl. Phys. 65 (1989) 2342.
2. H.H. Madden, D.R. Jennison, M.M. Traum, G. Margaritondo, N.G. Stoffel, Phys. Rev. B 26 (1982) 896.
3. R.S. Becker, G.S. Higashi, Y.J. Chabal, A.J. Becker, Phys. Rev. Lett. 65 (1990) 1917.
4. Ph. Avouris, R.E. Walkup, A.R. Rossi, T.-C. Shen, G.C. Abeln, J.R. Tucker, J.W. Lyding, Chem. Phys. Lett. 257 (1996) 148.
5. J.A. Misewich, T.F. Heinz, D.M. Newns, Phys. Rev. Lett. 68 (1992) 3737.
6. B.N.J. Persson, Ph. Avouris, Chem. Phys. Lett. 242 (1995) 483.
7. P. Guyot-Sionnest, P.H. Lin, E.M. Miller, J. Chem. Phys. 102 (1995) 4269.
8. Written and developed by M.P. Sears and P.A. Schultz at Sandia National Laboratories, Albuquerque, NM 87185-1111, USA.
9. P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B864.
10. W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) A1133; see also S. Lundqvist, N.M. March (eds.), Theory of the Inhomogeneous Electron Gas, Plenum, New York, 1983.
11. W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) A1133; see also S. Lundqvist, N.M. March (eds.), Theory of the Inhomogeneous Electron Gas, Plenum, New York, 1983.
12. D.R. Hamann, Phys. Rev. Lett. 76 (1996) 660.
13. J. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671.
14. J. Perdew, A. Zunger, Phys. Rev. B 23 (1981) 5048.
15. D.M. Ceperly, B.J. Alder, Phys. Rev. Lett. 45 (1980) 566.
16. D.R. Hamann, Phys. Rev. B 40 (1989) 2980.
17. Contact P.A. Schultz, Sandia National Laboratories, Albuquerque, NM 87185-1111, USA. E-mail: paschul@cs.sandia.gov. See also P.J. Feibelman, Phys. Rev. B 38 (1988) 1849.
18. P.J. Feibelman, Phys. Rev. B 33 (1986) 719; Phys. Rev. B 35 (1987) 2626.
19. P.J. Feibelman, Phys. Rev. B 33 (1986) 719; Phys. Rev. B 35 (1987) 2626.
20. D.D. Johnson, Phys. Rev. B 38 (1988) 12807.
21. S.M. Myers, P.M. Richards, J. Appl. Phys. 67 (1990) 4064.
22. C.G. Van de Walle, R.A. Street, Phys. Rev. B 49 (1994) 14766.
23. 2 because the extra electron is not in the σ* orbitai but in a diffuse orbital not appropriate for the solid. We neglect the zero-point energy difference in the estimate made below because it is negligible.
24. K.P. Huber, G. Herzberg, Constants of Diatomic Molecules, Vol. VI of Molecular Spectra and Molecular Structure, Van Nostrand Reinhold, New York, 1979.
25. E.B. Stechel, D.R. Jennison, A.R. Burns, in R.H. Stulen, M.L. Knotek (Eds.), Desorption Induced by Electronic Transitions DIET III, Springer, Berlin, 1988, p. 136.
26. For example, R. Kosloff, Annu. Rev. Chem. 45 (1994) 145.
27. For example, L.D. Landau and E.M. Lifshitz, Quantum Mechanics, Addison-Wesley, Reading, MA, 1965, p. 71.
28. For example, E. Merzbacher, Quantum Mechanics, John Wiley, New York, 1970, p. 116.
29. A.R. Burns, E.B. Stechel, D.R. Jennison, Phys. Rev. Lett. 58 (1987) 250; A.R. Burns, E.B. Stechel, D.R. Jennison, Y.S. Li, Phys. Rev. Lett. 72 (1994) 3895.
30. A.R. Burns, E.B. Stechel, D.R. Jennison, Phys. Rev. Lett. 58 (1987) 250; A.R. Burns, E.B. Stechel, D.R. Jennison, Y.S. Li, Phys. Rev. Lett. 72 (1994) 3895.
31. D. Menzel in: A.R. Burns, E.B. Stechel, D.R. Jennison (Eds.), Desorption Induced by Electronic Transitions DIETV, Springer, Berlin, 1993, p. 101.
32. J.W. Lyding, K. Hess, I.C. Kizilyalli, Appl. Phys. Lett. 68 (1996) 2526.
33. E. Cartier, J.H. Stathis, Appl. Phys. Lett. 69 (1996) 103.