Resolving organic molecule-silicon scanning tunneling microscopy features with molecular orbital methods

Surface Science

Volumn 416, Issue 3, 1998, Pages

  Wolkow, R A ^a   Lopinski, G P ^a   Moffatt, D J ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

Ab initio quantum chemical methods and calculations; Aromatics; Chemisorption; Density functional calculations; Low index single crystal surfaces; Scanning tunneling microscopy; Semi empirical models and model calculations; Silicon

Indexed keywords

ADSORPTION; BENZENE; CHEMISORPTION; CURRENT DENSITY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; SCANNING TUNNELING MICROSCOPY; SINGLE CRYSTALS; SURFACE CHEMISTRY;

DENSITY FUNCTIONAL THEORY; LOW INDEX SINGLE CRYSTALS; QUANTUM CHEMICAL METHODS;

SEMICONDUCTING SILICON;

EID: 0032182572     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(98)00629-3     Document Type: Article

References (37)

1. M.J. Bozack, P.A. Taylor, W.J. Choyke, J.T. Yates, Jr., Surf. Sci. 177 (1986) L933.
2. C.C. Cheng, R.M. Wallace, P.A. Taylor, W.J. Choyke, J.T. Yates, Jr., J. Appl. Phys. 67 (1990) 3693.
3. M.R. Lindford, C.E.D. Chidsey, J. Am. Chem. Soc. 115 (1993) 12631.
4. M.R. Lindford, P. Fenter, P.M. Eisenberger, C.E.D. Chidsey, J. Am. Chem. Soc. 117 (1995) 3145.
5. R.A. Wolkow, D.J. Moffatt, J. Chem. Phys. 103 (1995) 10696.
6. D.E. Brown, D.J. Moffatt, R.A. Wolkow, Science 279 (1998) 542.
7. G.P. Lopinski, D.J. Moffatt, D.D.M. Wayner, R.A. Wolkow, Nature, April 30 (1998).
8. G.P. Lopinski, D.J. Moffatt, R.A. Wolkow, Chem. Phys. Lett. 282 (1998) 305.
9. G.P. Lopinski, T. Fortier, D.J. Moffatt, R.A. Wolkow, J. Vac. Sci. Technol., in press.
10. R. Konecny, D.J. Doren, J. Am. Chem. Soc. 119 (1997) 11098.
11. J. He, S.N. Patitsas, K.F. Preston, R.A. Wolkow, D.D.M. Wayner, Chem. Phys. Lett., in press.
12. R.J. Hamers, J.S. Hovis, S. Lee, H. Liu, J. Shan, J. Phys. Chem. 101 (1997) 1489.
13. J.S. Hovis, R.J. Hamers, J. Phys. Chem. 101 (1997) 9581.
14. A.V. Teplyakov, M.J. Kong, S.F. Bent, J. Am. Chem. Soc. 119 (1997) 11100.
15. R.A. Wolkow, Ph. Avouris, Phys. Rev. Lett. 60 (1988) 1049.
16. R. Becker, R.A. Wolkow, Scanning tunneling microscopy of silicon, in: J. Stroscio, W. Kaiser (Eds.), Scanning Tunneling Microscopy, Methods of Experimental Physics Series, Academic Press, New York, 1993.
17. J.A. Kubby, J.J. Boland, Surf. Sci. Rep. 26 (1996) 62.
18. M. Dewar, W. Thiel, J. Am. Chem. Soc. 99 (1977) 4499.
19. L.P. Davis et al., J. Comp. Chem. 2 (1981) 433.
20. M.J.S. Dewar, M.L. McKee, H.S. Rzepa, J. Am. Chem. Soc. 100 (1978) 3607.
21. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J. Am. Chem. Soc. 107 (1985) 3902.
22. M.J.S. Dewar, C.H. Reynolds, J. Comp. Chem. 2 (1986) 140.
23. P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B864.
24. W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) A1133.
25. B.I. Craig, Surf. Sci. 280 (1993) L279.
26. H.D. Joeng, S. Ryu, Y.S. Lee, S. Kim, Surf. Sci. 344 (1995) L1226.
27. A.J. Fisher, P.E. Blochl, G.A.D. Briggs, Surf. Sci. 374 (1997) 298.
28. W. Pan, T. Zhu, W. Yang, J. Chem. Phys. 107 (1997) 3981.
29. M.J. Frisch et al., Gaussian 94 (Revision D.1), Gaussian, Inc., Pittsburgh, PA, 1995.
30. E.G.A. Redondo, W.A. Goddard, J. Vac. Sci. Technol. 21 (1982) 344.
31. Y.J. Chabal, K. Raghavachari, Phys. Rev. Lett. 53 (1984) 282.
32. R.A. Wolkow, Phys. Rev. Lett. 68 (1992) 2636.
33. N. Roberts, R.J. Needs, Surf. Sci. 236 (1990) 112.
34. J. Dabrowski, E. Pehlke, M. Scheffler, Phys. Rev. B 49 (1994) 4790.
35. J. Tersoff, D.R. Hamann, Phys. Rev. Lett. 50 (1983) 1998.
36. J. Tersoff, D.R. Hamann, Phys. Rev. B 31 (1985) 805.
37. Y. Taguchi, M. Fujisawa, T. Takaoka, T. Okada, M. Nishijima, J. Chem. Phys. 95 (1991) 6870.