Geometric and electronic structure of the N Rh (100) system by core-level photoelectron spectroscopy: Experiment and theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 4, 2006, Pages

  Bianchettin, Laura ^a,b   Baraldi, Alessandro ^a,b   De Gironcoli, Stefano ^c   Lizzit, Silvano ^d   Petaccia, Luca ^d   Vesselli, Erik ^a,b   Comelli, Giovanni ^a,b   Rosei, Renzo ^a,b  

^a UNIVERSITY OF TRIESTE   (Italy)

^b LABORATORIO TASC   (Italy)

^c DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^d SINCROTRONE TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33746614114     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.045430     Document Type: Article

References (58)

1. R. M. Hardeveld, A. J. G. W. Schmidt, R. A. van Santen, and J. W. Niemantsverdriet, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.580646 15, 1642 (1997).
2. R. M. Hardeveld, R. A. van Santen, and J. W. Niemantsverdriet, J. Phys. Chem. B JPCBFK 1089-5647 101, 7901 (1997).
3. V. P. Zhdanov and B. Kasemo, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/S0167-5729(97)00009-5 29, 31 (1997).
4. F. Zaera and C. S. Gopinath, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(00)01247-1 332, 209 (2000).
5. G. Comelli, V. R. Dhanak, M. Kiskinova, K. C. Prince, and R. Rosei, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/S0167-5729(98)00003-X 32, 167 (1998).
6. G. Comelli, S. Lizzit, P. Hofmann, G. Paolucci, M. Kiskinova, and R. Rosei, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(92)90610-I 277, 31 (1992).
7. S. Lizzit, G. Comelli, P. Hofmann, G. Paolucci, M. Kiskinova, and R. Rosei, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(92)90703-9 276, 144 (1992).
8. V. R. Dhanak, A. Baraldi, G. Comelli, K. C. Prince, R. Rosei, A. Atrei, and E. Zanazzi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.1965 51, 1965 (1995).
9. M. Gierer, F. Mertens, H. Over, G. Ertl, and R. Imbihl, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(95)80055-7 339, L903 (1995).
10. F. Zaera and C. S. Gopinath, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480142 111, 8088 (1999).
11. F. Zaera, S. Wehner, C. S. Gopinath, J. L. Sales, V. Gargiulo, and G. Zgrablich, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp011427a 105, 7771 (2001).
12. F. Zaera and C. S. Gopinath, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1426381 116, 1128 (2002).
13. D. Loffreda, D. Simon, and P. Sautet, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476051 108, 6447 (1998).
14. R. A. van Santen and J. W. Niemantsverdriet, Chemical Kinetics and Catalysis (Plenum Press, New York, 1995).
15. D. Alfé, S. de Gironcoli, and S. Baroni, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(99)00620-2 437, 18 (1999).
16. D. Alfé, S. de Gironcoli, and S. Baroni, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(98)00120-4 410, 151 (1998).
17. A. Baraldi, J. Cerda, J. A. Martin-Gago, G. Comelli, S. Lizzit, G. Paolucci, and R. Rosei, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 82.4874 82, 4874 (1999).
18. A. P. van Bavel, M. J. P. Hopstaken, D. Curulla, J. W. Niemantsverdriet, J. J. Lukkien, and P. A. Hilbers, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1577536 119, 524 (2003).
19. A. Beutler, E. Lundgren, R. Nyholm, J. N. Andersen, B. J. Setlik, and D. Heskett, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(97)00664-X 396, 117 (1998).
20. M. Birgersson, C. O. Almbladh, M. Borg, and J. N. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.045402 67, 045402 (2003).
21. F. Strisland, A. Beutler, A. J. Jaworowski, R. Nyholm, B. Setlik, D. Heskett, and J. N. Andersen, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(98) 00361-6 410, 330 (1998).
22. J. N. Andersen and C. O. Almbladh, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/49/311 13, 11267 (2001).
23. M. V. Ganduglia-Pirovano, M. Scheffler, A. Baraldi, S. Lizzit, G. Comelli, G. Paolucci, and R. Rosei, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.205415 63, 205415 (2001).
24. A. Baraldi, S. Lizzit, G. Comelli, M. Kiskinova, R. Rosei, K. Honkala, and J. K. Nørskov, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 93.046101 93, 046101 (2004).
25. L. Köhler, G. Kresse, M. Schmid, E. Lundgren, J. Gustafson, A. Mikkelsen, M. Borg, J. Yahara, J. N. Andersen, M. Marsman, and P. Varga, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.266103 93, 266103 (2004).
26. C. J. Weststrate, A. Baraldi, L. Rumiz, S. Lizzit, G. Comelli, and R. Rosei, Surf. Sci. SUSCAS 0039-6028 566-568, 486 (2004).
27. E. Vesselli, A. Baraldi, F. Bondino, G. Comelli, M. Peressi, and R. Rosei, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.115404 70, 115404 (2004).
28. A. Baraldi and V. R. Dhanak, J. Electron Spectrosc. Relat. Phenom. JESRAW 0368-2048 10.1016/0368-2048(93)02038-N 67, 211 (1994).
29. M. J. P. Hopstaken and J. W. Niemantsverdriet, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp993200+ 104, 3058 (2000).
30. A. Siokou and J. W. Niemantsverdriet, J. Chem. Phys. JCPSA6 0021-9606 402, 110 (1998).
31. A. Baraldi, V. R. Dhanak, G. Comelli, K. C. Prince, and R. Rosei, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.10511 56, 10511 (1997).
32. L. Bianchettin, A. Baraldi, S. de Gironcoli, E. Vesselli, S. Lizzit, L. Petaccia, G. Comelli, and R. Rosei (unpublished).
33. S. Doniach and M. Sunjic, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/3/9/004 3, 185 (1970).
34. F. Bondino, G. Comelli, A. Baraldi, E. Vesselli, R. Rosei, A. Goldoni, and S. Lizzit, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1627757 119, 12534 (2003).
35. F. Strisland, A. Ramstad, T. Ramsvik, and A. Borg, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(98)00544-5 415, L1020 (1998).
36. M. Zacchigna, C. Astaldi, K. C. Prince, M. Sastry, C. Comicioli, M. Evans, R. Rosei, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.7713 54, 7713 (1996).
37. J. N. Andersen, D. Hennig, E. Lundgren, M. Methfessel, R. Nyholm, and M. Scheffler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17525 50, 17525 (1994).
38. A. Baraldi, G. Comelli, S. Lizzit, R. Rosei, and G. Paolucci, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.12713 61, 12713 (2000).
39. A. Goldoni, A. Baraldi, G. Comelli, S. Lizzit, and G. Paolucci, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.3156 82, 3156 (1999).
40. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964);
41. W. Kohn and L. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
42. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
43. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
44. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
45. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, http://www.quantum-espresso.org.
46. M. Methfessel and A. T. Paxton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.3616 40, 3616 (1989).
47. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
48. M. Mavrikakis, J. Rempel, J. Greeley, L. B. Hansen, and J. K. Nørskov, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1507104 117, 6737 (2002).
49. B. Hammer and J. K. Nørskov, Adv. Catal. ADCAAX 0065-2342 10.1016/S0360-0564(02)45013-4 45, 71 (2000).
50. L. Pauling, The Nature of the Chemical Bond, 3rd ed. (Cornell University Press, Ithaca, 1960).
51. E. Pehlke and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.71.2338 71, 2338 (1993).
52. A. Baraldi, S. Lizzit, A. Novello, G. Comelli, and R. Rosei, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.205404 67, 205404 (2003).
53. S. Lizzit, A. Baraldi, A. Groso, K. Reuter, M. V. Ganduglia-Pirovano, C. Stampfl, M. Scheffler, M. Stichler, C. Keller, W. Wurth, and D. Menzel, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.205419 63, 205419 (2001).
54. G. A. Benesh and D. A. King, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(92)85307-V 191, 315 (1992);
55. P. S. Bagus, F. Illas, G. Pacchioni, and F. Parmigiani, J. Electron Spectrosc. Relat. Phenom. JESRAW 0368-2048 10.1016/S0368-2048(99)00048-1 100, 215 (1999).
56. B. Hammer and J. K. Nørskov, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(96)80007-0 343, 211 (1995).
57. B. Hammer, Y. Morikawa, and J. K. Nørskov, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.2141 76, 2141 (1996).
58. A. Kokalj, J. Mol. Graphics Modelling, 1999, Vol 17, pp. 176-179. Code available from http://www.xcrysden.org/.