Non-reactive metal/oxide interfaces: From model calculations towards realistic simulations

Physica Status Solidi (B) Basic Research

Volumn 243, Issue 11, 2006, Pages 2516-2532

  Goniakowski, Jacek ^a   Mottet, Christine ^b   Noguera, Claudine ^a  

^a INSTITUT DES NANOSCIENCES DE PARIS   (France)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748601198     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.200541456     Document Type: Conference Paper

References (89)

1. C. R. Henry, Surf. Sci. Rep. 31, 231 (1998).
2. G. Ertl and H.-J. Freund, Phys. Today 52, 32 (1999).
3. M. W. Finnis, Surf. Sci. 241, 61 (1991).
4. F. Didier and J. Jupille, Surf. Sci. 314, 378 (1994).
5. C. Noguera, Physics and Chemistry at Oxide Surfaces (Cambrige University Press, Cambridge, 1995).
6. M. W. Finnis, J. Phys.: Condens. Matter 8, 5811 (1996).
7. S. Altieri, L. H. Tjeng, F. C. Voogt, T. Hibma, O. Rogojanu, and G. A. Sawatzky, Phys. Rev. B 66, 155432 (2002).
8. Y. F. Zhukovskii, E. A. Kotomin, P. W. M. Jacobs, and A. M. Stoneham, Phys. Rev. Lett. 84, 1256 (2000).
9. D. R. Jennison and A. Bogicevic, Surf. Sci. 464,108 (2000).
10. I. G. Batyrev, A. Alavi, and M. W. Finnis, Phys. Rev. B 62, 4698 (2000).
11. A. Christensen and E. A. Carter, J. Chem. Phys. 114, 5816 (2001).
12. W. Zhang, J. R. Smith, and A. G. Evans, Acta Mater. 50, 3803 (2002).
13. Y. F. Zhukovskii, E. A. Kotomin, D. Fuks, S. Dorfman, A. M. Stoneham, and G. Borstel, J. Phys.: Condens. Matter 16, 4881 (2004).
14. S. B. Sinnott and E. C. Dickey, Mater. Sci. Eng. R 43, 1 (2003).
15. A. E. Mattsson and D. R. Jennison, Surf. Sci. 520, L611 (2002).
16. G. Pacchioni, Surf. Sci. 520, 3 (2002).
17. E. Huit, Y. Andersson, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. Lett. 77, 2029 (1996).
18. W. Kohn, Y. Meir, and D. E. Makarov, Phys. Rev. Lett. 80, 4153 (1998).
19. J. F. Dobson, J. Wang, B. P. Binte, K. McLennan, and H. M. Le, Int. J. Quantum Chem. 101, 579 (2005) and references therein.
20. G. Renaud, Surf. Sci. Rep. 32, 1 (1998).
21. G. Barcaro and A. Fortunelli, J. Chem. Theory Comput. 1, 972 (2005).
22. K. Yamamoto, Y. Kasukabe, R. Takeishi, and T. Osaka, J. Vac. Sci. Technol. A 14, 327 (1996).
23. R. Yamauchi, M. Kubo, A. Miyamoto, R. Vetrivel, and E. Broclawik, J. Phys. Chem. B 102, 795 (1998).
24. R. Benedek, A. Alavi, D. N. Seidman, L. H. Yang, D. A. Muller, and C. Woodward, Phys. Rev. Lett. 84, 3362 (2000).
25. J. Oviedo, J. Fernádez Sanz, N. Lóez, and F. Illas, J. Phys. Chem. B 4, 4342 (2000).
26. W. Vervisch, C. Mottet, and J. Goniakowski, Phys. Rev. B 65, 245411 (2002).
27. Y. Long, N. X. Chen, and W. Q. Zhang, J. Phys.: Condens. Matter 17, 2045 (2005).
28. Y. Long, N. X. Chen, and H. Y. Wang, J. Phys.: Condens. Matter 17, 6149 (2005).
29. J. Goniakowski and C. Noguera, Interface Sci. 12, 93 (2004).
30. G. Bordier and C. Noguera, Phys. Rev. B 44, 6361 (1991).
31. J. Goniakowski, Phys. Rev. B 57, 1935 (1998).
32. J. Goniakowski, Phys. Rev. B 59, 11047 (1999).
33. J. Goniakowski, Phys. Rev. B 58, 1189 (1998).
34. L. Giordano, J. Goniakowski, and G. Pacchioni, Phys. Rev. B 64, 075417 (2001).
35. D. Fuks, S. Dorfinan, Yu F. Zhukovskii, E. A. Kotomin, and A. M. Stoneham, Surf. Sci. 499, 24 (2002).
36. A. Ouahab, C. Mottet, and J. Goniakowski, Phys. Rev. B 72, 035421 (2005).
37. A. M. Ferrari and G. Pacchioni, J. Phys. Chem. 100, 9032 (1996).
38. A. V. Matveev, K. M. Neyman, I. V. Yudanov, and N. Rösch, Surf. Sci. 426, 123 (1999).
39. A. Bogicevic and D.R. Jennison, Surf. Sci. 37, L741 (1999);
40. Surf. Sci. 515, L481 (2002).
41. Y. F. Zhukovskii, E. A. Kotomin, P. W. M. Jacobs, A. M. Stoneham, and J. H. Harding, J. Phys.: Condens. Matter 12, 55 (2000).
42. K. M. Neyman, C. Inntam, A. V. Matveev, V. A. Nasluzov, and N. Rösch, J. Am. Chem. Soc. 127, 11652 (2005).
43. B. Ealet, J. Goniakowski, and F. Finocchi, Phys. Rev. B 69, 195413 (2004).
44. M. Moseler, H. Häkkinen, and U. Landman, Phys. Rev. Lett. 89, 176103 (2002).
45. C. Inntam, L. V. Moskaleva, K. M. Neyman, V. A. Nasluzov, and N. Rösch, Appl. Phys. A 82, 181 (2006).
46. L. Giordano, C. Di Valentin, J. Goniakowski, and G. Pacchioni, Phys. Rev. Lett. 92, 096105 (2004).
47. L. Giordano and G. Pacchioni, Surf. Sci. 575, 197 (2005).
48. C. Noguera, J. Phys.: Condens. Matter 12, R367 (2000).
49. D. Imhoff, S. Laurent, C. Colliex, and M. Backhaus-Ricoult, Eur. Phys. J. Appl. Phys. 5, 9 (1999).
50. R. Benedek, M. Minkoff, and L. H. Yang, Phys. Rev. B 54, 7697 (1996).
51. J. Goniakowski and C. Noguera, Phys. Rev. B 60, 16120 (1999).
52. J. Goniakowski and C. Noguera, Phys. Rev. B 66, 085417 (2002).
53. V. G. Zavodinsky, M. A. Kuźmenko, and A. Kiejna, Surf. Sci. 589, 114 (2005);
54. Appl. Phys. A 82, 181 (2006).
55. F. Baletto and R. Ferrando, Rev. Mod. Phys. 77, 371 (2005).
56. C. Mottet, J. Goniakowski, F. Baletto, R. Ferando, and G. Tréglia, Phase Transit. 77, 101 (2004).
57. F. Ducastelle, J. Phys. (France) 31, 1055 (1970).
58. J. Friedel, in: The Physics of Metals, edited by J. M. Ziman (Cambridge University Press, Cambridge, 1969).
59. V. Rosato, M. Guillope, and B. Legrand, Philos. Mag. A 59, 321 (1989).
60. J. L. Rousset, A. M. Cadrot, F. J. Cadete Santos Aires, A. Renouprez, P. Mélinon, and A. Perez, J. Chem. Phys. 102, 8574 (1995).
61. J. Guevara, A. M. Llois, and M. Weissmann, Phys. Rev. B 52, 11509 (1995).
62. C. Mottet, G. Tréglia, and B. Legrand, Surf. Sci. 352-354, 675 (1996).
63. S. Sawaya, J. Goniakowski, C. Mottet, A. Saúl, and G. Tréglia, Phys. Rev. B 56, 12161 (1997).
64. 2 from: I. Shim and K. A. Gingerich, J. Chem. Phys. 80, 5107 (1984);
65. and of Pd surface energy from: F. R. de Boer, R. Boom, W. C. M. Mattens, A. R. Miedema, and A. K. Niemen, Cohesion in Metals (North-Holland, Amsterdam, 1988).
66. D. R. Jennison, P. A. Schultz, and M. P. Sears, J. Chem. Phys. 106, 1856 (1997).
67. V. Kumar and Y. Kawazoe, Phys. Rev. B 66, 144413 (2002).
68. W. Zhang, Q. Ge, and L. Wang, J. Chem. Phys. 118, 5793 (2003).
69. P. Nava, M. Sierka, and R. Ahlrichs, Phys. Chem. Chem. Phys. 5, 3372 (2003).
70. C. Barreteau, M. C. Desjonquères, and D. Spanjaard, Eur. Phys. J. D 11, 395 (2000).
71. C. Barreteau, R. Guirado-López, D. Spanjaard, M. C. Desjonquères, and A. M. Oleś, Phys. Rev. B 61, 7781 (2000).
72. C. Massen, T. V. Mortimer-Jones, and R. L. Johnston, J. Chem. Soc. Dalton Trans. 2002, 4375 (2002).
73. F. Baletto, R. Ferrando, A. Fortunelli, F. Montalenti, and C. Mottet, J. Chem. Phys. 116, 3856 (2002).
74. M. José-Yacamán, M. Martín-Almazo, and J. A. Ascencio, J. Mol. Catal. A, Chem. 173, 61 (2001).
75. W. Vervisch, C. Mottet, and J. Goniakowski, Eur. Phys. J. D 24, 311 (2003).
76. i) together with the values of fitted parameters can be found in http://www.crmcn.univ-mrs.fr/gModel/webparam.pdf
77. J. Goniakowski and C. Mottet, J. Cryst. Growth 275, 29 (2005).
78. G. Rossi, C. Mottet, F. Nita, and R. Ferrando, J. Phys. Chem. B 110, 7436 (2002).
79. H. Graoui, S. Giorgio, C. R. Henry, Surf. Sci. 417, 350 (1998).
80. G. Renaud, R. Lazzari, C. Revenant, A. Barbier, M. Noblet, O. Ulrich, F. Leroy, J. Jupille, Y. Borensztein, C. R. Henry, J. P. Deville, F. Scheurer, J. Mane-Mane, O. Fruchart, Science 300, 1416 (2003).
81. C. Revenant, F. Leroy, R. Lazzari, G. Renaud, C. R. Henry, Phys. Rev. B 69, 035411 (2004).
82. H. Brune, M. Giovani, K. Bromann, and K. Kern, Nature 394, 451 (1998).
83. F. Leroy, G. Renaud, A. Letoublon, R. Lazzari, C. Mottet, and J. Goniakowski, Phys. Rev. Lett. 95, 185501 (2005).
84. V. Musolino, A. Selloni, and R. Car, Phys. Rev. Lett. 83, 3242 (1999).
85. L. Xu, G. Henkelman, C. T. Campbell, and H. Jónsson, Phys. Rev. Lett. 95, 146103 (2005).
86. G. Barcaro, A. Fortunelli, F. Nita, and R. Ferrando, Phys. Rev. Lett. 95, 246103 (2005).
87. C. Mottet and J. Goniakowski, Surf. Sci. 566-568, 443 (2004).
88. H. F. Busnengo, W. Dong, P. Sautet, and A. Salin, Phys. Rev. Lett. 87, 127601 (2001).
89. C. Mottet, J. Goniakowski, G. Rossi, R. Ferrando, and F. Baletto, Ann. Chim. 30, 303 (2005).