Hostname: page-component-586b7cd67f-r5fsc Total loading time: 0 Render date: 2024-11-25T15:23:14.733Z Has data issue: false hasContentIssue false
  • English
  • Français

Simulating Stm Images for the Gaas (110) Surface

Published online by Cambridge University Press:  10 February 2011

James R. Chelikowsky  and
Hanchul Kim
James R. Chelikowsky
Affiliation:
Department of Chemical Engineering and Materials Science, Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN 55455, USA
Hanchul Kim
Affiliation:
Gordon-McKay Laboratory, Division of Engineering and Applied Sciences, Harvard University, 9 Oxford Street, Cambridge, MA 02138, USA
Get access

Abstract

Scanning tunneling microscopy (STM) is one of the most successful experimental tools for probing the structure of semiconductor surfaces. However, care must be taken in interpreting the images at the atomistic limit. Often a “naive” interpretation of the STM image can yield an incorrect surface structure. We illustrate this situation via ab initio pseudopotential calculations for the STM image of the (110) GaAs surface. We will compare theoretical STM images to experimental images for the relaxed surface and for a surface with an As vacancy.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 49
Copyright
Copyright © Materials Research Society 1998

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Ebert, Ph., Engels, B., Richard, P., Schroeder, K., Blügel, S., Domke, C., Heinrich, M., and Urban, K., Phys. Rev. Lett. 77, 2997 (1996).Google Scholar
2. Stroscio, J.A., Feenstra, R.M., and Fein, A.P., Phys. Rev. Lett. 58, 1192 (1986).Google Scholar
3. Tersoff, J. and Hamann, D.R., Phys. Rev. Lett. 50, 1998 (1983); Phys. Rev. 31, 805 (1985).Google Scholar
4. Tomanek, D., Louie, S. G., Mamin, H. J., Abraham, D. W., Thomson, R. E., Ganz, E., and Clarke, J., Phys. Rev. B 35, 7790 (1987)Google Scholar
5. Ding, Y.G., Chan, C.T. and Ho, K.M., Phys. Rev. Lett. 67, 1454 (1991).Google Scholar
6. Cho, K. and Joannopoulos, J.D., Phys. Rev. Lett. 71, 1808 (1993).Google Scholar
7. Ihm, J., Zunger, A., and Cohen, M. L., J. Phys. C 12, 4409 (1979); 13, 3095(E) (1980).Google Scholar
8. Chelikowsky, J. R. and Louie, S. G., editors, Quantum Theory of Real Materials (Kluwer Press, 1996) and references therein.Google Scholar
9. Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964);Google Scholar
Kohn, W. and Sham, L. J., Phys. Rev. 140, A1133 (1965).Google Scholar
10. Ceperley, D. M. and Alder, B. J., Phys. Rev. Lett. 45, 566 (1980);Google Scholar
Perdew, J. P. and Zunger, A., Phys. Rev. B 23, 5048 (1981).Google Scholar
11. Troullier, N. and Martins, J. L., Phys. Rev. B 43, 1993 (1991).Google Scholar
12. Louie, S. G., Froyen, S., and Cohen, M. L., Phys. Rev. B 26, 1738 (1982).Google Scholar
13. Kleinman, L. and Bylander, D. M., Phys. Rev. Lett. 48, 1425 (1982);Google Scholar
Gonze, X., Stumpf, R., and Schemer, M., Phys. Rev. B 44, 8503 (1991).Google Scholar
14. Ohno, T. and Shiraishi, K., Phys. Rev. B 42, 11194 (1990);Google Scholar
Shiraishi, K., J. Phys. Soc. Jpn. 59, 3455 (1990).Google Scholar
15. Cunningham, S. L., Phys. Rev. B 10, 4988 (1974).Google Scholar
16. Martins, J. L. and Troullier, N., Phys. Rev. B 43, 2213 (1991).Google Scholar
17. Johnson, D. D., Phys. Rev. B 38, 12807 (1988)Google Scholar
18. Oren, S. S. and Spedicato, E., Math. Program. 10, 70 (1976).Google Scholar
19. Shanno, D.F. and Phua, K.-H., Math. Program. 14, 149 (1978).Google Scholar
20. Chetty, N., Weinert, M., Rahman, T. S., and Davenport, J. W., Phys. Rev. B 52, 6313 (1995)Google Scholar
21. Alves, J. L. A., Hebenstreit, J., and Schemer, M., Phys. Rev. B 44, 6188 (1991);Google Scholar
Qian, G.-X., Martin, R. M., and Chadi, D. J., Phys. Rev. B 37, 1303 (1988);Google Scholar
Jing, X., Glassford, K. M., and Chelikowsky, J. R., Surf. Sci. 314, 289 (1994).Google Scholar
22. Duke, C. B., Richardson, S. L., Paton, A., and Kahn, A., Surf. Sci. 127, L135 (1983);Google Scholar
Tong, S. Y., Wei, W. N., and Xu, G., J. Vac. Sci. Technol. B 2, 393 (1983);Google Scholar
Duke, C. B., in Electronic Materials, edited by Chelikowsky, J. R. and Franciosi, A. (Springer, Berlin, 1991) p. 113.Google Scholar
23. Lengel, G., Wilkins, R., Brown, G. and Weimer, M., J. Vac. Sci. Technol. B 11, 1472 (1993).Google Scholar
24. Lengel, G., Wilkins, R., Brown, G., Weimer, M., Gryko, J. and Allen, R.E., Phys. Rev. Lett. 72, 836 (1994).Google Scholar
25. Ebert, Ph., Urban, K., and Lagally, M.G., Phys. Rev. Lett. 72, 840 (1994).Google Scholar
26. Stroscio, J. A., Feenstra, R. M., and Fein, A. P., Phys. Rev. Lett. 58, 1668 (1987).Google Scholar
27. Lang, N. D., Phys. Rev. Lett. 58, 45 (1987).Google Scholar
28. Feenstra, R. M. and Stroscio, J. A., J. Vac. Sci. Technol. B 5, 923 (1987).Google Scholar
29. Stroscio, J. A., Feenstra, R. M., Newns, D. M., and Fein, A. P., J. Vac. Sci. Technol. A 6, 499 (1988).Google Scholar
30. Hamers, R. J., J. Vac. Sci. Technol. B 6, 1462 (1988).Google Scholar
31. Stroscio, J. A. and Feenstra, R. M., J. Vac. Sci. Technol. B 6, 1472 (1988).Google Scholar
32. Daw, M. S. and Smith, D. L., Phys. Rev. B 20, 5150 (1979);Google Scholar
Daw, M. S. and Smith, D. L., J. Vac. Sci. Technol. 17, 1028 (1980);Google Scholar
Daw, M. S., Smith, D. L., Swarts, C. A., and McGill, T. C., J. Vac. Sci. Technol. 19, 508 (1981).Google Scholar
33. Alien, R. E., Sankey, O. F., and Dow, J. D., Surf. Sci. 168, 376 (1986).Google Scholar
34. Yi, J.-Y., Ha, J. S., Park, S.-J., and Lee, E.-H., Phys. Rev. B 51, 11198 (1995).Google Scholar
35. Kim, H. and Chelikowsky, J.R., Phys. Rev. Lett. 77, 1063 (1996),Google Scholar
Kim, H. and Chelikowsky, J.R., Phys. Rev. Lett. 79, 3315 (1997), and to be published.Google Scholar
36. Zhang, S. B. and Zunger, A., Phys. Rev. Lett. 77, 119 (1996).Google Scholar
37. Schwarz, G., Kley, A., Neugebauer, J., and Schemer, M., Phys. Rev. B (1997) (in press).Google Scholar
38. Chao, K.-J., Smith, A. R., and Shih, C.-K., Phys. Rev. B 53, 6935 (1996).Google Scholar
39. Ebert, Ph., Chen, X., Heinrich, M., Simon, M., Urban, K., and Lagally, M. G., Phys. Rev. Lett. 76, 2089 (1996).Google Scholar