The (1 ×1)→ hexagonal structural transition on Pt(100) studied by high-energy resolution core level photoemission

Journal of Chemical Physics

Volumn 127, Issue 16, 2007, Pages

  Baraldi, Alessandro ^a,b   Vesselli, Erik ^f   Bianchettin, Laura ^f   Comelli, Giovanni ^f   Lizzit, Silvano ^c   Petaccia, Luca ^c   De Gironcoli, Stefano ^d   Locatelli, Andrea ^c   Mentes, T Onur ^c   Aballe, Lucia ^c   Weissenrieder, Jonas ^e   Andersen, Jesper N ^e  

^a UNIVERSITY OF TRIESTE   (Italy)

^b LABORATORIO TASC   (Italy)

^c SINCROTRONE TRIESTE   (Italy)

^d DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^e LUND UNIVERSITY   (Sweden)

^f NONE

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; DENSITY FUNCTIONAL THEORY; LOW ENERGY ELECTRON DIFFRACTION; METASTABLE PHASES; PHASE TRANSITIONS; PHOTOELECTRON SPECTROSCOPY; PLATINUM;

QUASIHEXAGONAL PHASE TRANSITION; SURFACE CORE LEVELS;

SURFACE STRUCTURE;

EID: 36048930728     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2794344     Document Type: Article

References (55)

1. J. J. Mortensen, T. R. Linderoth, K. W. Jacobsen, E. Lægsgaard, I. Stensgaard, and F. Besenbacher, Surf. Sci. 400, 290 (1998).
2. G. Ritz, M. Schmid, P. Varga, A. Borg, and M. Rønning, Phys. Rev. B 56, 10518 (1997).
3. A. Borg, A. M. Hilmen, and E. Bergene, Surf. Sci. 306, 10 (1994).
4. V. Fiorentini, M. Methfessel, and M. Scheffler, Phys. Rev. Lett. 71, 1051 (1993).
5. P. van Beurden and G. J. Kramer, J. Chem. Phys. 121, 2317 (2004).
6. R. Imbihl and G. Ertl, Chem. Rev. (Washington, D.C.) 95, 697 (1995) and references therein.
7. P. Van Beurden, B. S. Bunnik, G. J. Kramer, and A. Borg, Phys. Rev. Lett. 90, 66106 (2003).
8. R. J. Behm, P. A. Thiel, P. R. Norton, and G. Ertl, J. Chem. Phys. 78, 7437 (1983).
9. T. E. Jackman, K. Griffiths, J. A. Davies, and P. R. Norton, J. Chem. Phys. 79, 3529 (1983).
10. M. Kim, W. S. Sim, and D. A. King, J. Chem. Soc., Faraday Trans. 92, 4781 (1996).
11. R. J. Behm, P. A. Thiel, P. R. Norton, and G. Ertl, Surf. Sci. 121, L553 (1982).
12. R. J. Behm, P. A. Thiel, P. R. Norton, and G. Ertl, J. Chem. Phys. 78, 7448 (1983).
13. A. Hopkinson, X.-C. Guo, J. M. Bradley, and D. A. King, J. Chem. Phys. 99, 8262 (1993).
14. A. Hopkinson, J. M. Bradley, X.-C. Guo, and D. A. King, Phys. Rev. Lett. 71, 1597 (1993).
15. Y. Y. Yeo, L. Vattuone, and D. A. King, J. Chem. Phys. 104, 3810 (1996).
16. K. Mase and Y. Murata, Surf. Sci. 242, 132 (1991).
17. P. Gardner, M. Thushaus, R. Martin, and A. M. Bradshaw, Surf. Sci. 240, 112 (1990).
18. G. Pirug, H. P. Bonzel, H. Hopster, and H. Ibach, J. Chem. Phys. 71, 593 (1979).
19. M. Gruyters, A. T. Pasteur, and D. A. King, J. Chem. Soc., Faraday Trans. 92, 2941 (1996).
20. J. M. Bradley, A. Hopkinson, and D. A. King, J. Chem. Phys. 99, 17032 (1995).
21. J. A. Davies, T. E. Jackman, D. P. Jackson, and P. R. Norton, Surf. Sci. 109, 20 (1981).
22. E. Lang, W. Grimm, and K. Griffiths, J. Vac. Sci. Technol. A 2, 1028 (1984).
23. K. Griffiths, T. E. Jackmann, J. A. Davies, and P. R. Norton, Surf. Sci. 138, 113 (1984).
24. G. Kneringer and F. P. Netzer, Surf. Sci. 49, 125 (1975).
25. P. R. Norton, K. Griffiths, and P. E. Bindner, Surf. Sci. 138, 125 (1984).
26. R. B. Shumbera, H. H. Kan, and J. F. Weaver, Surf. Sci. 600, 2928 (2006).
27. A. A. Deskins, J. Lauterbach, and K. T. Thompson, J. Chem. Phys. 122, 184709 (2005).
28. P. R. Norton, J. A. Davies, D. K. Creber, C. W. Sitter, and T. E. Jackman, Surf. Sci. 108, 205 (1981).
29. R. Nyholm, J. N. Andersen, U. Johansson, B. N. Jensen, and I. Lindau, Nucl. Instrum. Methods Phys. Res. A 467, 320 (2001).
30. K. Kuhnke, K. Kern, and G. Comsa, Surf. Sci. 343, 44 (1995).
31. A. Locatelli, L. Aballe, T. O. Mentes, M. Kiskinova, and E. Bauer, Surf. Interface Anal. 38, 1554 (2006).
32. S. Doniach and M. Šunjić, J. Phys. C 3, 185 (1970).
33. P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964).
34. W. Kohn and L. Sham, Phys. Rev. 140, 1133 (1965).
35. J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eshring (Akademie, Berlin, 1991), p. 11.
36. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
37. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, http://www.quantum-espresso.org.
38. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
39. M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989).
40. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
41. L. Bianchettin, A. Baraldi, S. de Gironcoli, S. Lizzit, L. Petaccia, E. Vesselli, G. Comelli, and R. Rosei, Phys. Rev. B 74, 45430 (2006).
42. O. Björneholm, A. Nilsson, H. Tillborg, P. Bennich, A. Sandell, B. Hernäs, C. Puglia, and N. Mårtensson, Surf. Sci. 315, L983 (1994).
43. C. Puglia, A. Nilsson, B. Hernnäs, O. Karis, P. Bennich, and N. Mårtensson, Surf. Sci. 342, 119 (1995).
44. J. F. Zhu, M. Kinne, T. Fuhrmann, R. Denecke, and H. P. Steinruck, Surf. Sci. 529, 384 (2003).
45. P. Van Beurden, "On the Surface Reconstruction of Pt-Group Metal," Ph.D. Thesis, Eindhoven University of Technology, 2003.
46. A. Baraldi, L. Bianchettin, S. de Gironcoli, E. Vesselli, S. Lizzit, L. Petaccia, G. Zampieri, G. Comelli, and R. Rosei, New J. Phys. 9, 143 (2007).
47. S. Surnev, M. Sock, M. G. Ramsey, F. P. Netzer, M. Wiklund, M. Borg, and J. N. Andersen, Surf. Sci. 470, 171 (2000).
48. n(k) is the crystal wave function of the nth band at wave vector k.
49. d, respectively.
50. A. Baraldi, S. Lizzit, F. Bondino, G. Comelli, R. Rosei, C. Sbraccia, N. Bonini, S. Baroni, A. Mikkelsen, and J. N. Andersen, Phys. Rev. B 72, 75417 (2005).
51. Y. Y. Yeo, C. E. Wartnaby, and D. A. King, Science 268, 1731 (1995).
52. H. P. Bonzel, G. Broden, and G. Pirug, J. Catal. 53, 96 (1978).
53. P. R. Norton, J. A. Davies, D. K. Creber, C. W. Sitter, and T. E. Jackman, Surf. Sci. 108, 205 (1981).
54. S. Horch, H. T. Lorensen, S. Helveg, E. Læsgaard, I. Stensgaard, K. W. Jacobsen, J. K. Nørskov, and F. Besenbacher, Science 398, 134 (1999).
55. G. L. Kellogg, Phys. Rev. Lett. 79, 4417 (1997).