Ab initio total energy study of adsorption and diffusion on the Si (100) surface

Thin Solid Films

Volumn 272, Issue 2, 1996, Pages 375-385

  Milman, V ^a   Pennycook, S J ^b   Jesson, D E ^b  

^a Molecular Simulations   (United Kingdom)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

Adsorption; Computer simulation; Silicon; Surface diffusion

Indexed keywords

ADSORPTION; ATOMS; COMPUTER SIMULATION; DIFFUSION; INTERFACIAL ENERGY; SEMICONDUCTING GERMANIUM; SEMICONDUCTING SILICON; SURFACE STRUCTURE;

DIMERS; POTENTIAL ENERGY; PSEUDOPOTENTIAL TOTAL ENERGY METHOD; SINGLE ADATOMS; SURFACE RECONSTRUCTION;

SURFACES;

EID: 0029776656     PISSN: 00406090     EISSN: None     Source Type: Journal    
DOI: 10.1016/0040-6090(95)06960-7     Document Type: Article

References (62)

1. F. Stillinger and T.A. Weber, Phys. Rev., B36 (1987) 1208.
2. J. Tersoff, Phys. Rev. Lett., 56 (1986) 632.
3. G. Brocks, P.J. Kelly and R. Car, Phys. Rev. Lett., 66 (1991) 1729.
4. V. Milman, D.E. Jesson, S.J. Pennycook, M.C. Payne, M.H. Lee and I. Stich, Phys. Rev., B50 (1994) 2663.
5. F. Liu, M. Mostoller, V. Milman, M.F. Chisholm and T. Kaplan, Phys. Rev., B51 (1995) 17192.
6. M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias and J.D. Joannopoulos, Rev. Mod. Phys., 64 (1992) 1045.
7. M.P. Teter, M.C. Payne and D.C. Allan, Phys. Rev., B40 (1989) 12255.
8. M.J. Gillan, J. Phys.: Cond. Matter, 1 (1989) 689.
9. L. Kleinman and D.M. Bylander, Phys. Rev. Lett., 48 (1982) 1425.
10. R.D. King-Smith, M.C. Payne and J.S. Lin, Phys. Rev., B44 (1991) 13063.
11. G.P. Kerker, J. Phys., C13 (1980) L189.
12. L.S. Lin, A. Qteish, M.C. Payne and V. Heine, Phys. Rev., B47 (1993) 4174.
13. L.J. Clarke, I. Stich and M.C. Payne, Comp. Phys. Commun., 72 (1992) 14.
14. J. Wang, T.A. Arias and J.D. Joannopoulos, Phys. Rev., B47 (1993) 10497.
15. S. Ihara, S.L. Ho, T. Uda and M. Hirao, Phys. Rev. Lett., 65 (1990) 1909.
16. N. Roberts and R.J. Needs, Surf. Sci., 236 (1991) 112.
17. J. Knall and J.B. Pethica, Surf. Sci., 265 (1992) 156; F. Iwawaki, M. Tomitori and O. Nishikawa, Ultramicroscopy, 42-44 (1992) 902.
18. J. Knall and J.B. Pethica, Surf. Sci., 265 (1992) 156; F. Iwawaki, M. Tomitori and O. Nishikawa, Ultramicroscopy, 42-44 (1992) 902.
19. I.P. Batra, Phys. Rev., B41 (1990) 5 048.
20. R.A. Wolkow, Phys. Rev. Lett., 68 (1992) 2 636.
21. J. Dabrowski and M. Scheffler, Appl. Surf. Sci., 56-58 (1992) 15.
22. J.E. Northrup, Phys. Rev., B47 (1993) 10 032.
23. Z. Zhu, N. Shima and M. Tsukada, Phys. Rev., B40 (1989) 11 868.
24. R.M. Tromp, R.G. Scmeenk, F.W. Saris and D.J. Chadi, Surf. Sci., 133 (1983) 137.
25. S. Tang, A.J. Freeman and B. Delley, Phys. Rev., B45 (1992) 1 776.
26. B.W. Holland, C.B. Duke and A. Paton, Surf. Sci., 140 (1984) L269.
27. C.M. Wei, H. Huang, S.Y. Tong, G.D.S. Glander and M.B. Webb, Phys. Rev., B42 (1990) 11 284.
28. P.S. Mangat et al., Phys. Rev., B47 (1993) 16 311.
29. D.E. Jesson, S.J. Pennycook and J.-M. Baribeau, Phys. Rev. Lett., 66 (1991) 750.
30. D.E. Jesson, S.J. Pennycook, J.-M. Baribeau and D.C. Houghton, Phys. Rev. Lett., 68 (1992) 2 062.
31. M.G. Lagally, Jpn. J. Appl. Phys., 32 (1993) 1 493; Y.-W. Mo and M.G. Lagally, Surf. Sci., 248 (1991) 313; M.G. Lagally, private communication, 1993.
32. M.G. Lagally, Jpn. J. Appl. Phys., 32 (1993) 1 493; Y.-W. Mo and M.G. Lagally, Surf. Sci., 248 (1991) 313; M.G. Lagally, private communication, 1993.
33. M.G. Lagally, Jpn. J. Appl. Phys., 32 (1993) 1 493; Y.-W. Mo and M.G. Lagally, Surf. Sci., 248 (1991) 313; M.G. Lagally, private communication, 1993.
34. Y.W. Mo, J. Kleiner, M.B. Webb and M.G. Lagally, Phys. Rev. Lett., 65 (1991) 1 998.
35. T. Miyazaki, H. Hiramoto and M. Okazaki, Jpn. J. Appl. Phys., 29 (1990) L1 165.
36. C. Roland and G.H. Gilmer, Phys. Rev., B46 (1992) 13 428.
37. D. Srivastava and B.J. Garrison, J. Chem. Phys., 95 (1991) 6 885.
38. Y.-T. Lu, Z.Y. Zhang and H. Metiu, Surf. Sci., 257 (1991) 199.
39. J. Wang and A. Rockett, Phys. Rev., B43 (1991) 12 571.
40. C.P. Toh and C.K. Ong, Phys. Rev., B45 (1992) 11 120.
41. Z.-H. Huang and R.E. Allen, J. Vac. Sci. Technol., A9 (1991) 876.
42. D. Srivastava and B.J. Garrison, Phys. Rev., B46 (1992) 1 472.
43. C. Roland and G.H. Gilmer, Phys. Rev., B47 (1993) 16 286.
44. D.J. Hamers and U.K. Kohler, J. Vac. Sci. Technol. A, 7 (1989) 2 854.
45. M. Chander, Y.Z. Li, J.C. Partin and J.H. Weaver, Phys. Rev., B48 (1993) 2 493.
46. G. Brocks, P.J. Kelly and R. Car, Phys. Rev. Lett., 70 (1993) 2 786; Y. Morikawa, K. Kobayashi and K. Terakura, Surf. Sci., 283 (1993) 377.
47. G. Brocks, P.J. Kelly and R. Car, Phys. Rev. Lett., 70 (1993) 2 786; Y. Morikawa, K. Kobayashi and K. Terakura, Surf. Sci., 283 (1993) 377.
48. G.L. Kellogg and P.J. Feibelman, Phys. Rev. Lett., 64 (1990) 3 143; C. Chen and T.T. Tsong, Phys. Rev. Lett., 64 (1990) 3 147.
49. G.L. Kellogg and P.J. Feibelman, Phys. Rev. Lett., 64 (1990) 3 143; C. Chen and T.T. Tsong, Phys. Rev. Lett., 64 (1990) 3 147.
50. C.L. Liu, J.M. Cohen, J.B. Adams and A.F. Voter, Surf. Sci., 253 (1991) 334; C.L. Liu and J.B. Adams, Surf. Sci., 294 (1993) 191.
51. C.L. Liu, J.M. Cohen, J.B. Adams and A.F. Voter, Surf. Sci., 253 (1991) 334; C.L. Liu and J.B. Adams, Surf. Sci., 294 (1993) 191.
52. R. Stumpf and M. Scheffler, Phys. Rev. Lett., 72 (1994) 254; R. Stumpf and M. Scheffler, Surf. Sci., 309 (1994) 501.
53. R. Stumpf and M. Scheffler, Phys. Rev. Lett., 72 (1994) 254; R. Stumpf and M. Scheffler, Surf. Sci., 309 (1994) 501.
54. G. Ehrlich, J. Chem. Phys., 44 (1966) 1 039; R.L. Schwoebel, J. Appl. Phys., 40 (1969) 614.
55. G. Ehrlich, J. Chem. Phys., 44 (1966) 1 039; R.L. Schwoebel, J. Appl. Phys., 40 (1969) 614.
56. M.D. Johnson et al., Phys. Rev. Lett., 72 (1994) 116.
57. P. Smilauer, M.R. Wilby and D.D. Vvedensky, Phys. Rev., B47 (1993) 4 119.
58. J.E. Vannostrand, S.J. Chey, M.A. Hasan, D.G. Cahill and J.E. Green, Phys. Rev. Lett., 74 (1995) 1 127.
59. D.J. Chadi, Phys. Rev. Lett., 59 (1987) 1 691.
60. C. Roland and G.H. Gilmer, Phys. Rev., B46 (1992) 13437.
61. D. Srivastava and B.J. Garrison, Phys. Rev., B47 (1993) 4 464.
62. R. Car and M. Parrinello, Phys. Rev. Lett., 55 (1985) 2 471.