Vibrational free energy contribution to self-diffusion on Ni(100), Cu(100) and Ag(100)

Surface Science

Volumn 383, Issue 2-3, 1997, Pages 137-148

  Kürpick, Ulrike ^a   Rahman, Talat S ^a  

^a KANSAS STATE UNIVERSITY   (United States)

Author keywords

Adatoms; Atomistic dynamics; Copper; Diffusion and migration; Nickel; Silver; Single crystal surfaces; Surface thermodynamics

Indexed keywords

ACTIVATION ENERGY; APPROXIMATION THEORY; COMPUTATIONAL METHODS; COPPER; ELECTRONIC DENSITY OF STATES; ENTROPY; FREE ENERGY; LATTICE VIBRATIONS; NICKEL; SILVER; SINGLE CRYSTALS; THERMAL EXPANSION;

ADATOMS; EMBEDDED ATOM METHOD;

DIFFUSION IN SOLIDS;

EID: 0031187316     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00105-2     Document Type: Article

References (55)

1. G. Ehrlich, F.G. Hudda, J. Chem. Phys. 44 (1966) 1039.
2. For a review see: G.L. Kellogg, Surf. Sci. Rep. 21 (1994) 1; G. Ehrlich. Surf. Sci. 299/300 (1994) 628.
3. For a review see: G.L. Kellogg, Surf. Sci. Rep. 21 (1994) 1; G. Ehrlich. Surf. Sci. 299/300 (1994) 628.
4. W.K. Rilling, C.M. Gillmore, T.D. Andreadis, J.A. Sprague, Can. J. Phys. 68 (1990) 1035.
5. G.A. Evangelakis, N.I. Papanicolaou, Surf. Sci. 347 (1996) 376.
6. D.E. Sanders, A.E. DePristo, Surf. Sci. 260 (1992) 116.
7. P.J. Feibelman, Phys. Rev. Lett. 65 (1990) 729.
8. R. Stumpf, M. Scheffler, Phys. Rev. Lett. 72 (1994) 254.
9. K.C. Pandey, E. Kaxiras, Phys. Rev. Lett. 66 (1991) 915; E. Kaxiras, K.C. Pandey, Phys. Rev. B 47 (1993) 1659.
10. K.C. Pandey, E. Kaxiras, Phys. Rev. Lett. 66 (1991) 915; E. Kaxiras, K.C. Pandey, Phys. Rev. B 47 (1993) 1659.
11. L.B. Hansen, P. Stoltze, K.W. Jacobsen, J.K. Norskov, Surf. Sci. 289 (1993) 68.
12. V. Milman, MC, Payne, V. Heine, R.J. Needs, J.S. Lin, M.H. Lee, Phys. Rev. Lett. 70 (1993) 2928.
13. U. Kürpick, A. Kara, T.S. Rahman, Phys. Rev. Lett., to be published.
14. S.M. Foiles, M.I. Baskes, M.S. Daw, Phys. Rev. B 33 (1986) 7983.
15. A.F. Voter, S.P. Chen, Proc. Mat. Res. Soc. 82 (1986) 175, A.F. Voter, SPIE, Modeling of Optical Thin Films 821 (1987) 214.
16. A.F. Voter, S.P. Chen, Proc. Mat. Res. Soc. 82 (1986) 175, A.F. Voter, SPIE, Modeling of Optical Thin Films 821 (1987) 214.
17. C.L. Liu, J.M. Cohen, J.B. Adams, A.F. Voter, Surf. Sci. 253 (1991) 334.
18. G.L. Kellogg, P.J. Feibelman, Phys. Rev. Lett. 64 (1990) 3143; C. Chen, T.T. Tsong, Phys. Rev. Lett. 64 (1990) 3147.
19. G.L. Kellogg, P.J. Feibelman, Phys. Rev. Lett. 64 (1990) 3143; C. Chen, T.T. Tsong, Phys. Rev. Lett. 64 (1990) 3147.
20. C. Lee, G.T. Barkema, M. Breeman, A. Pasquarello, R. Car, Surf. Sci. 306 (1994) L575.
21. B.D. Yu, M. Scheffler, Phys. Rev. Lett. 77 (1996) 1095.
22. For a review about the embedded atom method and its applications see: M.S. Daw, S.M. Foiles, M.I. Baskes, Mat. Sci. Rep. 9 (1993) 251.
23. J.B. Adams, S.M. Foiles, W.G. Wolfer, J. Mater. Res. 4 (1989) 102.
24. S.M. Foiles, Surf. Sci. 191 (1987) L779.
25. J.S. Nelson, M.S. Daw, E.C. Sowa, Phys. Rev. B 40 (1989) 1465.
26. T.S. Rahman, Z.J. Tian, J. Electron. Spectrosc. Relat. Phenom. 64/65 (1993) 651.
27. L. Yang, T.S. Rahman, M.S. Daw, Phys. Rev. B 44 (1991) 13725.
28. L. Yang, T.S. Rahman, Phys. Rev. Lett. 67 (1991) 2327.
29. T.S. Rahman, Cond. Mat. Theories 9 (1994) 299.
30. K.P. Bohnen, K.M. Ho, Surf. Sci. Rep. 19 (1993) 99.
31. H.P. Bonzel, Landolt-Börnstein, New Series, Vol. 26 III (1990) 717.
32. T.T. Tsong, Rep. Progr. Phys. 51 (1988) 761.
33. R. Gomer, Rep. Progr. Phys. 53 (1990) 917.
34. S. Glasstone, K.J. Laidler, H. Eyring, The Theory of Rate Processes, McGraw-Hill Book Company, Inc., New-York and London, 1941; C.H. Bennett, in: Algorithms for Chemical Computations, ACS Symposium Series, American Chemical Society, 1977; D.A. King, J. Vac. Sci. Technol. 17 (1980) 241.
35. S. Glasstone, K.J. Laidler, H. Eyring, The Theory of Rate Processes, McGraw-Hill Book Company, Inc., New-York and London, 1941; C.H. Bennett, in: Algorithms for Chemical Computations, ACS Symposium Series, American Chemical Society, 1977; D.A. King, J. Vac. Sci. Technol. 17 (1980) 241.
36. S. Glasstone, K.J. Laidler, H. Eyring, The Theory of Rate Processes, McGraw-Hill Book Company, Inc., New-York and London, 1941; C.H. Bennett, in: Algorithms for Chemical Computations, ACS Symposium Series, American Chemical Society, 1977; D.A. King, J. Vac. Sci. Technol. 17 (1980) 241.
37. D.E. Sanders, A.E. DePristo, Surf. Sci. 264 (1992) L169.
38. G. Bracco, L. Bruschi, L. Pedemonte, R. Tatarek, Surf. Sci. 352-354 (1996) 964.
39. S.Y. Wu, J. Cocks, C.S. Jayanthi, Phys. Rev. B 49 (1994) 7957.
40. R.M. Nicklow, G. Gilat, H.G. Smith, L.J. Raubenheimer, M.K. Wilkenson, Phys. Rev. 164 (1967) 922.
41. G. Tréglia, M.-C. Desjonquères, J. Physique 46 (1985) 987.
42. G. Boisvert, L.J. Lewis, M.J. Puska, R.M. Nieminen, Phys. Rev. 652 (1995) 9078.
43. L.J. Perkins, A.E. DePristo, Surf. Sci. 294 (1993) 67.
44. L. Hansen, P. Stoltze, K.W. Jacobsen, J.K. Nørskov, Phys. Rev. B 44 (1991) 6523.
45. J.J. Miguel, A. Sánchez, A. Cebollada, J.M. Gallego, J. Ferrón, S. Ferrer, Surf. Sci. 189/190 (1987) 1062.
46. H.-J. Ernst, F. Fabre, J. Lapujoulade, Phys. Rev. B 46 (1992) 1929.
47. M. Breeman, D.O. Boerma, Surf. Sci. 269/270 (1992) 224.
48. H. Dürr, J.F. Wendelken, J.-K. Zuo, Surf. Sci. 328 (1995) L527.
49. M.H. Langelaar, M. Breeman, D.O. Boerma, Surf. Sci. 352-354 (1996) 597.
50. P. Schrammen, J. Hölzl, Surf. Sci. 130 (1983) 203.
51. R.T. Tung, W.R. Graham, Surf. Sci. 97 (1980) 73.
52. R. Ferrando, G. Tréglia, Phys. Rev. Lett. 76 (1996) 2109.
53. R. Ferrando, G. Tréglia, Phys. Rev. B 50 (1994) 12104.
54. R. Ferrando, G. Tréglia, Surf. Sci. 331-333 (1995) 920.
55. U. Kürpick, T.S. Rahman, Surface Diffusion: Atomistic and Collective Processes, NATO-ASI Series, to be published.