Self-diffusion of small clusters on fcc metal (111) surfaces

Physical Review Letters

Volumn 85, Issue 5, 2000, Pages 1044-1047

  Chang, C M ^a   Wei, C M ^b   Chen, S P ^c  

^a NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

^b INSTITUTE OF PHYSICS   (Taiwan)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; COMPUTER SIMULATION; COMPUTER SOFTWARE; CORRELATION METHODS; DIFFUSION; ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; OLIGOMERS; PROBABILITY DENSITY FUNCTION; SURFACES;

EMBEDDED ATOM METHOD; SELF DIFFUSION; SMALL CLUSTERS; TETRAMER; TRIMER; ZIGZAG MOTION;

ALUMINUM;

EID: 0034228617     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.85.1044     Document Type: Article

References (25)

1. A. Zangwill, Physics at Surfaces (Cambridge University Press, Cambridge, England, 1988).
2. Surface Diffusion: Atomistic und Collective Processes, edited by M. C. Tringides (Plenum, New York, 1997).
3. For a collection of works for diffusion on metal surfaces, see, for example, G. L. Kellogg, Surf. Sci. Rep. 21, 1 (1994).
4. G. L. Kellogg, Phys. Rev. Lett. 73, 1833 (1994).
5. S. C. Wang and G. Ehrlich, Surf. Sci. 239, 301 (1990).
6. C. L. Liu and J. B. Adams, Surf. Sci. 268, 73 (1992).
7. Z. P. Shi et al., Phys. Rev. Lett. 76, 4927 (1996).
8. C. M. Chang, C. M. Wei, and S. P. Chen, Phys. Rev. B 54, 17 083 (1996).
9. M. S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984).
10. P. Hohenherg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
11. P. Hohenherg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
12. A. F. Voter and S. P. Chen, in Characterization of Defects in Materials, edited by R. W. Siegel, R. Sinclair, and J. R. Weertman, MRS Symposia Proceedings No. 82 (Materials Research Society, Pittsburgh, 1987), p. 175.
13. C. L. Liu et al., Surf. Sci. 253, 334 (1991).
14. We have calculated all possible diffusion paths including concerted diffusions, diffusion by individual atomic jumps, cluster transformations, rotations, etc. Among these paths, we extract the lowest energy paths to present in this paper. The full results will be published elsewhere. For Al trimer on Al(111) surface, see Ref. [19].
15. G. Kress and J. Hafner, Phys. Rev. B 47, 558 (1993); G. Kress and J. Hafner, Phys. Rev. B 49, 14251 (1994).
16. G. Kress and J. Hafner, Phys. Rev. B 47, 558 (1993); G. Kress and J. Hafner, Phys. Rev. B 49, 14251 (1994).
17. G. Kress and J. Hafner, J. Phys. Condens. Matter 6, 8245 (1994).
18. See, for example, W. E. Pickett, Comput. Phys. Rep. 9, 115 (1989).
19. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
20. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
21. C. M. Chang, C. M. Wei, and S. P. Chen (to be published).
22. R. Stumpf and M. Scheffler, Phys. Rev. B 53, 4958 (1996).
23. A. Bogicevic et al., Phys. Rev. Lett. 81, 172 (1998).
24. The same procedures are also applied to determine the lowest energy diffusion paths for other sizes of clusters.
25. 3/Al(111), see Ref. [19].