Nonperturbative evaluation of STM tunneling probabilities from ab initio calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 56, Issue 19, 1997, Pages 12469-12481

  Ness, H ^a   Fisher, A ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002642218     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.56.12469     Document Type: Article

References (90)

1. G. Binnig, H. Rohrer, Ch. Gerber, and E. Weibel, Phys. Rev. Lett. 49, 57 (1982).
2. G. Binnig and H. Rohrer, Rev. Mod. Phys. 59, 615 (1987).
3. P. Avouris, I.-W. Lyo, and F. Bozso, J. Vac. Sci. Technol. B 9, 424 (1991).
4. H. Ohtani, R. J. Wilson, S. Chiang, and C. M. Mate, Phys. Rev. Lett. 60, 2398 (1988).
5. D. P. E. Smith, H. Hörber, Ch. Gerber, and G. Binnig, Science 245, 43 (1989).
6. M. Hara, Y. Iwakabe, K. Tochigi, H. Sasabe, A. F. Garito, and A. Yamada, Nature (London) 344, 228 (1990).
7. W. M. Heckl and D. P. E. Smith, J. Vac. Sci. Technol. B 9, 1159 (1991).
8. G. Binnig and H. Rohrer, in Trends in Physics, edited by J. Janta and J. Pantoflicek (European Physical Society, The Hague, 1984), pp. 38-46.
9. M. G. Youngquist, R. J. Driscoll, T. R. Coley, W. A. Goddard, and J. D. Baldeschwieler, J. Vac. Sci. Technol. B 9, 1304 (1991).
10. B. Michel, G. Travaglini, H. Rohrer, C. Joachim, and M. Amrein, Z. Phys. B 76, 99 (1989).
11. G. Travaglini, M. Amrein, B. Michel, and H. Gross, in Scanning Tunneling Microscopy and Related Methods, Vol. 184 of NATO Advanced Study Institute, Series E: Applied Sciences, edited by R. J. Behm et. al (Kluwer, Dordrecht, 1990), p. 335.
12. J. Tersoff, in Scanning Tunneling Microscopy and Related Methods (Ref. 11), p. 77.
13. J. Tersoff and D. R. Hamann, Phys. Rev. Lett. 50, 1998 (1985).
14. J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985).
15. J. Bardeen, Phys. Rev. Lett. 6, 57 (1961).
16. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
17. I. Štich, M. C. Payne, R. D. Kingsmith, J. S. Lin, and L. J. Clarke, Phys. Rev. Lett. 68, 1351 (1992).
18. K. D. Brommer, M. Needels, B. E. Larson, and J. D. Joannopoulos, Phys. Rev. Lett. 68, 1355 (1992).
19. A. J. Fisher, P. E. Blöchl, and G. A. D. Briggs, Surf. Sci. 374, 298 (1997).
20. A. Baratoff, Physica B 127B, 143 (1984).
21. D. Lawumni and M. C. Payne, J. Phys.: Condens. Matter 2, 3811 (1990).
22. J. Tersoff and N. D. Lang, Phys. Rev. Lett. 65, 1132 (1990).
23. J. Tersoff, Phys. Rev. B 41, 1235 (1990).
24. C. J. Chen, Phys. Rev. Lett. 65, 448 (1990).
25. Phys. Rev. B 42, 8841 (1990).
26. Phys. Rev. Lett. 69, 1656 (1992).
27. J. H. Wilson, D. A. McInnes, J. Knall, A. P. Sutton, and J. B. Pethica, Ultramicroscopy 42-44, 801 (1992).
28. M. Tsukada, K. Kobayashi, and S. Ohnishi, J. Vac. Sci. Technol. A 8, 160 (1990).
29. M. Tsukada, K. Kobayashi, and N. Isshiki, Surf. Sci. 242, 12 (1991).
30. M. Tsukada, K. Kobayashi, N. Shima, and S. Ohnishi, J. Vac. Sci. Technol. B 9, 494 (1991).
31. J. Gimzewski and R. Möller, Phys. Rev. B 36, 1284 (1987).
32. N. D. Lang, Phys. Rev. B 36, 8173 (1987).
33. T. N. Todorov and A. P. Sutton, Phys. Rev. Lett. 70, 2138 (1993).
34. A. G. Scherbakov, E. N. Bogachek, and U. Landman, Phys. Rev. B 53, 4054 (1996).
35. L. Olesen, E. Laegsgaard, I. Stengaard, F. Besenbacher, J. Schiotz, P. Stoltze, K. W. Jacobsen, and J. K. Norskov, Phys. Rev. Lett. 72, 2251 (1994).
36. C. J. Muller, J. M. van Ruitenbeek, and L. J. de Jongh, Phys. Rev. Lett. 69, 140 (1992).
37. V. Kalmeyer and R. B. Laughlin, Phys. Rev. B 35, 9805 (1987).
38. A. A. Lucas, H. Morawitz, G. R. Henry, J. P. Vigneron, P. Lambin, P. H. Cutler, and T. E. Feuchtwang, Phys. Rev. B 37, 10 708 (1988).
39. C. Noguera, J. Phys. (France) 50, 2587 (1990).
40. C. Noguera, Phys. Rev. B 42, 1629 (1990).
41. C. Noguera, in Scanning Tunneling Microscopy III, Vol. 29 of Springer Series in Surface Science, 2nd ed., edited by R. Wiesendanger and H. J. Güntherodt (Springer-Verlag, Berlin, 1996), p. 51.
42. W. Sacks and C. Noguera, Phys. Rev. B 43, 11 612 (1991).
43. G. Doyen, D. Drakova, and M. Scheffler, Phys. Rev. B 47, 9778 (1993).
44. G. Doyen, in Scanning Tunneling Microscopy III (Ref. 39), p. 23.
45. C. Joachim and P. Sautet, in Scanning Tunneling Microscopy and Related Methods (Ref. 11), p. 377.
46. E. Tekman and S. Ciraci, Phys. Rev. B 43, 7145 (1991).
47. P. Sautet and C. Joachim, Chem. Phys. Lett. 23, 23 (1991).
48. S. Ciraci, E. Tekman, A. Baratoff, and I. P. Batra, Phys. Rev. B 46, 10 411 (1992).
49. A. J. Fisher and P. E. Blöchl, in Computations for the Nano-Scale, Vol. 240 of NATO Advanced Study Institute, Series E: Applied Sciences, edited by P. E. Blöchl et. al (Kluwer, Dordrecht, 1993), p. 185.
50. R. Landauer, IBM J. Res. Dev. 1, 223 (1957).
51. A. D. Stone and A. Szafer, IBM J. Res. Dev. 32, 384 (1988).
52. M. Büttiker, IBM J. Res. Dev. 32, 317 (1988).
53. Y. Meir and N. S. Wingreen, Phys. Rev. Lett. 68, 2512 (1992).
54. J. B. Pendry, A. B. Pre⁁tre, and B. C. H. Krutzen, J. Phys.: Condens. Matter 3, 4313 (1991).
55. T. N. Todorov, G. A. D. Briggs, and A. P. Sutton, J. Phys.: Condens. Matter 5, 2389 (1993).
56. M. Gell-Mann and M. L. Goldberger, Phys. Rev. 91, 398 (1953).
57. B. A. Lippmann and J. Schwinger, Phys. Rev. 50, 469 (1950).
58. J. R. Trail, D. M. Bird, S. Crampin, and R. James (unpublished).
59. R. James and S. M. Woodley, Solid State Commun. 97, 935 (1996).
60. G. Doyen, J. Phys.: Condens. Matter 5, 3305 (1993).
61. K. Hirose and M. Tsukada, Phys. Rev. Lett. 73, 150 (1994).
62. K. Hirose and M. Tsukada, Phys. Rev. B 51, 5278 (1995).
63. N. Kobayashi, K. Hirose, and M. Tsukada, Jpn. J. Appl. Phys. 35, 3710 (1996).
64. C. Caroli, R. Combescot, P. Nozieres, and D. Saint-James, J. Phys. C 4, 916 (1971).
65. R. Combescot, J. Phys. C 4, 2611 (1971).
66. M. J. Bozack, P. A. Taylor, W. J. Choyke, and J. T. Yates, Jr., Surf. Sci. Lett. 177, L933 (1986).
67. J. Yoshinobu, H. Tsuda, M. Onchi, and M. Nishijima, J. Chem. Phys. 87, 7332 (1987).
68. C. C. Cheng, W. J. Choyke, and J. T. Yates, Jr., Surf. Sci. 231, 289 (1990).
69. A. J. Mayne, A. R. Avery, J. Knall, T. S. Jones, G. A. D. Briggs, and W. H. Weinberg, Surf. Sci. 284, 247 (1993).
70. P. C. Hohenberg and W. Kohn, Phys. Rev. 136, B684 (1964).
71. W. Kohn and J. Sham, Phys. Rev. 140, A1133 (1965).
72. P. E. Blöchl, Phys. Rev. B 50, 17 953 (1994).
73. P. E. Blöchl, Phys. Rev. B 41, 5414 (1990).
74. R. Car and M. Parrinello, in Simple Molecular Systems at Very High Density, edited by A. Polian et. al (Plenum, New York, 1988), p. 455.
75. H. Ness, A. J. Fisher, and G. A. D. Briggs, Surf. Sci. 380, L479 (1997).
76. H. Ness and A. J. Fisher, J. Phys.: Condens. Matter 9, 1793 (1997).
77. H. Ness and A. J. Fisher, Phys. Rev. B 55, 10 081 (1997).
78. K. Cho and J. D. Joannopoulos, Phys. Rev. Lett. 71, 1387 (1993).
79. R. Perez, M. C. Payne, and A. D. Simpson, Phys. Rev. Lett. 75, 4748 (1995).
80. K. Cho and J. D. Joannopoulos, Jpn. J. Appl. Phys. 35, 3714 (1996).
81. J. C. Caulfield and A. J. Fisher, Appl. Phys. A: Solids Surf. (to be published February 1998).
82. J. E. Inglesfield, J. Phys. C 14, 3795 (1981).
83. M. I. Trioni, G. P. Brivio, S. Crampin, and J. E. Inglesfield, Phys. Rev. B 53, 8052 (1996).
84. G. D. Mahan, Phys. Rev. A 22, 1780 (1980).
85. S. Baroni, P. Giannozzi, and A. Testa, Phys. Rev. Lett. 1861, 1861 (1987).
86. G. H. Golub and C. F. Van Loan, in Matrix Computations (Johns Hopkins University Press, Baltimore, 1996), pp. 470-507.
87. R. Haydock, Solid State Phys. 35, 215 (1980).
88. T. J. Godin and R. Haydock, Phys. Rev. B 38, 5237 (1988).
89. T. J. Godin and R. Haydock, Europhys. Lett. 14, 137 (1991).
90. B. N. Parlett, in The Symmetric Eigenvalue Problem (Prentice-Hall, Englewood Cliffs, NJ, 1980), p. 257.