Structural instability of the diamond C(111) surface induced by hydrogen chemisorption

Journal of Chemical Physics

Volumn 109, Issue 21, 1998, Pages 9549-9560

  Su, C ^a   Lin, J C ^a  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000956384     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477617     Document Type: Article

References (67)

1. F. G. Celii and J. E. Butler, Annu. Rev. Phys. Chem. 42, 643 (1991).
2. D. V. Fedoseev, V. P. Varnin, and B. V. Deryagin, Russ. Chem. Rev. 53, 435 (1984).
3. J. C. Angus and C. C. Hayman, Science 241, 913 (1988).
4. A. R. Badzian and R. C. DeVries, Mater. Res. Bull. 23, 385 (1988).
5. D. D. Koleske, S. M. Gates, B. D. Thomas, J. N. Russell, and J. E. Butler, Surf. Sci. 320, L105 (1994).
6. C. Su, K.-J. Song, Y. L. Wang, H.-L. Lu, T. J. Chuang, and J.-C. Lin, J. Chem. Phys. 107, 7543 (1997).
7. J. A. Mucha, D. L. Flamm, and D. E. Ibbotson, J. Appl. Phys. 65, 3448 (1989).
8. M. Frenklach and H. Wang, Phys. Rev. B 43, 1520 (1991).
9. M. N. Yoder, Diamond Relat. Mater. 2, 59 (1993).
10. T. I. Hukka, R. E. Rawles, and M. P. D'Evelyn, Thin Solid Films 225, 212 (1993).
11. T. Schaich, J. Braun, J. P. Toennies, M. Buck, and C. Wöll, Surf. Sci. 385, L958 (1997).
12. A. V. Hamza, G. D. Kubiak, and R. H. Stulen, Surf. Sci. 206, L833 (1988).
13. T. I. Hukka, T. A. Pakkanen, and M. P. D'Evelyn, J. Phys. Chem. 98, 12420 (1994).
14. K. Larsson, S. Lunell, and J.-O. Carlsson, Phys. Rev. B 48, 2666 (1993).
15. L. V. Zhigilei, D. Srivastava, and B. J. Garrison, Surf. Sci. 374, 333 (1997).
16. L. V. Zhigilei, D. Srivastava, and B. J. Garrison, Phys. Rev. B 55, 1838 (1997).
17. D. R. Alfonso, D. A. Drabold, and S. E. Ulloa, Phys. Rev. B 51, 14669 (1995).
18. D. R. Alfonso, D. A. Drabold, and S. E. Ulloa, Phys. Rev. B 51, 1989 (1995).
19. D. W. Brenner, Phys. Rev. B 42, 9458 (1990).
20. B. N. Davidson and W. E. Pickett, Phys. Rev. B 49, 11253 (1994).
21. T. Frauenheim, T. Köhler, M. Sternberg, D. Porezag, and M. R. Pederson, Thin Solid Films 272, 314 (1996).
22. B. Sandfort, A. Mazur, and J. Pollmann, Phys. Rev. B 51, 7150 (1995).
23. T. Aizawa, T. Ando, M. Kamo, and Y. Sato, Phys. Rev. B 48, 18348 (1993).
24. S.-T. Lee and G. Apai, Phys. Rev. B 48, 2684 (1993).
25. B. D. Thoms and J. E. Butler, Phys. Rev. B 50, 17450 (1994).
26. J.-C. Lin, K.-H. Chen, H.-C. Chang, C.-S. Tsai, C.-E. Lin, and J.-K. Wang, J. Chem. Phys. 105, 3975 (1996).
27. W.-K. Liu, M. Hayashi, J.-C. Lin, H.-C. Chang, S. H. Lin, and J.-K. Wang, J. Chem. Phys. 106, 5920 (1997).
28. C.-L. Cheng, H.-C. Chang, J.-C. Lin, K.-J. Song, and J.-K. Wang, Phys. Rev. Lett. 78, 3713 (1997).
29. C.-L. Cheng, J.-C. Lin, and H.-C. Chang, J. Chem. Phys. 106, 7411 (1997).
30. H.-C. Chang, J.-C. Lin, J.-Y. Wu, and K.-H. Chen, J. Phys. Chem. 99, 11081 (1995).
31. C.-L. Cheng, J.-C. Lin, H.-C. Chang, and J.-K. Wang, J. Chem. Phys. 105, 8977 (1996).
32. R. P. Chin, J. Y. Huang, Y. R. Shen, T. J. Chuang, and H. Seki, Phys. Rev. B 52, 5985 (1995).
33. R. P. Chin, J. Y. Huang, Y. R. Shen, T. J. Chuang, and H. Seki, Phys. Rev. B 54, 8243 (1996).
34. R. P. Chin, J. Y. Huang, Y. R. Shen, T. J. Chung, H. Seki, and M. Buck, Phys. Rev. B 45, 1522 (1992).
35. Y. Mitsuda, T. Yamada, T. J. Chuang, H. Seki, R. P. Chin, J. Y. Huang, and Y. R. Shen, Surf. Sci. Lett. 257, L633 (1991).
36. Y. L. Yang, L. M. Struck, L. F. Sutcu, and M. P. D'Evelyn, Thin Solid ilms 225, 203 (1993).
37. R. E. Thomas, R. A. Rudder, and R. J. Markunas, J. Vac. Sci. Technol. A 10, 2451 (1992).
38. C. Su and J.-C. Lin, Surf. Sci. 406, 149 (1998).
39. C. A. Fox, G. D. Kubiak, M. T. Schulberg, and S. Hagstrom, in Proceedings of the Third International Symposium on Diamond Materials, edited by J. P. Dismukes and K. V. Ravi (The Electrochemical Society, Pennington, NJ, 1993), p. 64.
40. C. A. Fox, G. D. Kubiak, and M. T. Schulberg (unpublished).
41. G. D. Kubiak, M. T. Schulberg, and R. H. Stulen, Surf. Sci. 277, 234 (1992).
42. L. H. Chua, R. B. Jackman, J. S. Foord, P. R. Chalker, C. Johnston, and S. Romani, J. Vac. Sci. Technol. A 12, 3033 (1994).
43. M. T. Schulberg, C. A. Fox, G. D. Kubiak, and R. H. Stulen, J. Appl. Phys. 77, 3484 (1995).
44. A. V. Hamza, G. D. Kubiak, and R. H. Stulen, Surf. Sci. 237, 35 (1990).
45. D. D. Koleske, S. M. Gates, B. D. Thoms, J. N. Russell, and J. E. Butler, J. Chem. Phys. 102, 992 (1995).
46. L. F. Sutcu, C. J. Chu, M. S. Thompson, R. H. Hauge, J. L. Margrave, and M. P. D'Evelyn, J. Appl. Phys. 71, 5930 (1992).
47. T. Tsuno, T. Imai, Y. Nishibayashi, K. Hamada, and N. Fujimori, Jpn. J. Appl. Phys., Part 1 30, 1063 (1991).
48. K. V. Ravi, Mater. Sci. Eng., B 19, 203 (1993).
49. G. Vidali, M. W. Cole, W. H. Weinberg, and W. A. Steele, Phys. Rev. Lett. 51, 118 (1983).
50. S. Iarlori, G. Galli, F. Gygi, M. Parrinello, and E. Tosatti, Phys. Rev. Lett. 69, 2947 (1992).
51. T. E. Derry, L. Smit, and J. F. Van Der Veen, Surf. Sci. 167, 502 (1986).
52. E. C. Sowa, G. D. Kubiak, and R. H. Stulen, J. Vac. Sci. Technol. A 6, 832 (1988).
53. K. C. Pandey, Phys. Rev. B 25, 4338 (1982).
54. M.-H. Tsai, J. C. Jiang, and S. H. Lin, Phys. Rev. B 54, 11141 (1996).
55. X. R. Qin and M. G. Lagally, Science 278, 1444 (1997).
56. G. Falkenberg, L. Seehofer, and R. L. Johnson, Surf. Sci. 371, 86 (1997).
57. G. Brocks, P. J. Kelly, and R. Car, Phys. Rev. Lett. 70, 2786 (1993).
58. A. A. Baski, J. Nogami, and C. F. Quate, J. Vac. Sci. Technol. A 8, 245 (1990).
59. H. Itoh, J. Itoh, A. Schmid, and T. Ichinokawa, Surf. Sci. 302, 295 (1994).
60. Y. Qian and M. J. Bedzyk, J. Vac. Sci. Technol. A 13, 1613 (1995).
61. H. Sakama, K. Murakami, K. Nishikata, and A. Kawazu, Phys. Rev. B 50, 14977 (1994).
62. J. L. Taylor and W. H. Weinberg, Surf. Sci. 78, 259 (1978).
63. W. Widdra, S. I. Yi, R. Maboudian, G. A. D. Briggs, and W. H. Weinberg, Phys. Rev. Lett. 74, 2074 (1995).
64. Y. Mitsuda, T. Yamada, T. J. Chuang, H. Seki, R. P. Chin, J. Y. Huang, and Y. R. Shen, Surf. Sci. Lett. 257, 1633 (1991).
65. Such hydrogenated (2×1) π-reconstructed surface was found to be a stable structure according to ab initio calculation (Refs. 17 and 20). Additional supporting evidence is from the comparison with H/C (100)-(2×1). The calculated bond length (1.61 Å) of a C-C dimer chain on the first layer of the reconstructed H/C (111)-(2×1) surface is similar to that of a dimer C-C bond (1.62 Å) for the monohydride phase on H/C (100)-(2×1). Since the monohydride H/C (100)-(2×1) surface has been shown to be a stable structure both theoretically and experimentally, the existence of a stable H/C (111)-(2×1) surface is thus not unlikely. Moreover, the C-H bonds in two adjacent carbon atoms on H/C (111)-(2×1) are expected to be in the pseudostaggered conformation and suffer less van der Waals repulsion.
66. To the first order of approximation, the strain energy was estimated to be ∼1.5 eV/unit cell, based on the potential curve shown in Fig. 14 in Ref. 6, where the energy difference between 2D/C (111)-(1×1) and clean C (111)-(2×1) states was ∼3 eV.
67. S. V. Pepper, Surf. Sci. 123, 47 (1982).