An embedding approach for the calculation of STM images: Method development and application to galena (PbS)

Journal of Chemical Physics

Volumn 107, Issue 18, 1997, Pages 7537-7542

  Becker, Udo ^a,c   Greatbanks, Steve P ^a   Rosso, Kevin M ^b   Hillier, Ian H ^a   Vaughan, David J ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^c UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000552987     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474992     Document Type: Article

References (25)

1. M. Tsukada, K. Kobayashi, N. Issihiki, and H. Kageshima, Surf. Sci. Rep. 13, 265 (1991).
2. C. J. Chen, Introduction to Scanning Tunneling Microscopy (Oxford University Press, Oxford, 1993).
3. R. Wiesendanger and H.-J. Güntherodt, Scanning Tunneling Microscopy III: Theory of STM and Related Scanning Probe, edited by Springer Series in Surface Sciences (Springer, Berlin, 1993).
4. R. Wiesendanger, Scanning Probe Microscopy and Spectroscopy: Methods and Applications (Cambridge University Press, Cambridge, 1994).
5. C. M. Eggleston and M. F. Hochella, Jr., Geochim. Cosmochim. Acta 54, 1511 (1990).
6. C. M. Eggleston and M. F. Hochella, Jr., Science 254, 983 (1991).
7. U. Becker and M. F. Hochella, Jr., Geochim. Cosmochim. Acta 60, 2413 (1996).
8. J. A. Tossell and D. J. Vaughan, Can. Mineral. 25, 381 (1987).
9. S. P. Greatbanks, P. Sherwood, and I. H. Hillier, J. Phys. Chem. 98, 8134 (1994).
10. I. H. Wilson, N. J. Zheng, U. Knipping, and I. S. T. Tsong, Appl. Phys. Lett. 53, 203 (1988).
11. K. Laajalehto, R. St. C. Smart, J. Ralston, and E. Suoninen, Appl. Surf. Sci. 64, 29 (1993).
12. D. J. Coulman, J. Winterlin, R. J. Behm, and G. Ertl, Phys. Rev. Lett. 64, 1761 (1990).
13. D. D. Chambliss, R. J. Wilson, and S. Chiang, Phys. Rev. Lett. 66, 1721 (1991).
14. U. Becker and M. F. Hochella, Jr., Geochim. Cosmochim. Acta (in press).
15. C. M. Eggleston and M. F. Hochella, Jr., Am. Min. 77, 221 (1994).
16. P. H. Lippel, R. J. Wilson, M. D. Miller, and S. Chiang, Phys. Rev. Lett. 62, 171 (1989).
17. H. Ouyang, R. A. Marcus, and B. Kallebring, J. Chem. Phys. 100, 7814 (1994).
18. V. M. Hallmark and S. Chiang, Surf. Sci. 329, 255 (1995).
19. R. Dovesi, V. R. Saunders. and C. Roetti, Crystal92, an Ah Initio Hartree-Fock LCAO Program for Periodic Systems (University of Turin, Italy, 1994).
20. C. Pisani, R. Dovesi, and C. Roetti, Hartree-Fock Ab Initio Treatment of Crystalline Systems, Lecture Notes in Chemistry (Springer, Berlin, 1988).
21. U. Becker, Ph.D. dissertation, Virginia Polytechnic Institute and State University, 1995.
22. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN94, Revision C.2 (Gaussian, Inc., Pittsburgh, 1995).
23. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 284 (1985).
24. J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985).
25. J. L. Junta and M. F. Hochella, Jr., Geochim. Cosmochim. Acta 58, 4985 (1994).