Role of molecular electronic structure in inelastic electron tunneling spectroscopy: O2 on Ag(110)

Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 8, 2010, Pages

  Monturet, Serge ^a   Alducin, Maite ^b,c   Lorente, Nicolás ^d  

^a UNIVERSITY OF POTSDAM   (Germany)

^b CSIC   (Spain)

^c DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^d CATALAN INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY ICN2   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77957565838     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.085447     Document Type: Article

References (51)

1. B. C. Stipe, M. A. Rezai, and W. Ho, Science 280, 1732 (1998). 10.1126/science.280.5370.1732
2. W. Ho, J. Chem. Phys. 117, 11033 (2002). 10.1063/1.1521153
3. T. Komeda, Prog. Surf. Sci. 78, 41 (2005). 10.1016/j.progsurf.2005.05.001
4. N. Okabayashi, Y. Konda, and T. Komeda, Phys. Rev. Lett. 100, 217801 (2008). 10.1103/PhysRevLett.100.217801
5. H. Gawronski, M. Mehlhorn, and K. Morgenstern, Science 319, 930 (2008). 10.1126/science.1152473
6. B. C. Stipe, M. A. Rezaei, W. Ho, S. Gao, M. Persson, and B. I. Lundqvist, Phys. Rev. Lett. 78, 4410 (1997). 10.1103/PhysRevLett.78.4410
7. M. Ohara, Y. Kim, S. Yanagisawa, Y. Morikawa, and M. Kawai, Phys. Rev. Lett. 100, 136104 (2008). 10.1103/PhysRevLett.100.136104
8. P. A. Gravil, D. M. Bird, and J. A. White, Phys. Rev. Lett. 77, 3933 (1996). 10.1103/PhysRevLett.77.3933
9. M. Alducin, H. F. Busnengo, and R. Díaz-Muiño, J. Chem. Phys. 129, 224702 (2008). 10.1063/1.3012354
10. L. Vattuone, C. Boragno, M. Pupo, P. Restelli, M. Rocca, and U. Valbusa, Phys. Rev. Lett. 72, 510 (1994). 10.1103/PhysRevLett.72.510
11. A. Raukema, D. A. Butler, F. M. A. Box, and A. W. Kleyn, Surf. Sci. 347, 151 (1996). 10.1016/0039-6028(95)00952-3
12. F. Buatier de Mongeot, M. Rocca, and U. Valbusa, Surf. Sci. 363, 68 (1996). 10.1016/0039-6028(96)00111-2
13. F. Bartolucci, R. Franchy, J. C. Barnard, and R. E. Palmer, Phys. Rev. Lett. 80, 5224 (1998). 10.1103/PhysRevLett.80.5224
14. J. R. Hahn, H. J. Lee, and W. Ho, Phys. Rev. Lett. 85, 1914 (2000). 10.1103/PhysRevLett.85.1914
15. J. R. Hahn and W. Ho, Phys. Rev. Lett. 87, 196102 (2001). 10.1103/PhysRevLett.87.196102
16. J. R. Hahn and W. Ho, J. Chem. Phys. 122, 244704 (2005) 10.1063/1.1940007
17. J. R. Hahn and W. Ho, J. Chem. Phys. 123, 214702 (2005). 10.1063/1.2131064
18. M. Alducin, D. Sánchez-Portal, A. Arnau, and N. Lorente, Phys. Rev. Lett. 104, 136101 (2010). 10.1103/PhysRevLett.104.136101
19. B. N. J. Persson and A. Baratoff, Phys. Rev. Lett. 59, 339 (1987). 10.1103/PhysRevLett.59.339
20. N. Lorente and M. Persson, Phys. Rev. Lett. 85, 2997 (2000). 10.1103/PhysRevLett.85.2997
21. M. Paulsson, T. Frederiksen, H. Ueba, N. Lorente, and M. Brandbyge, Phys. Rev. Lett. 100, 226604 (2008). 10.1103/PhysRevLett.100.226604
22. O. Tal, M. Krieger, B. Leerink, and J. M. van Ruitenbeek, Phys. Rev. Lett. 100, 196804 (2008). 10.1103/PhysRevLett.100.196804
23. N. Lorente, Appl. Phys. A 78, 799 (2004). 10.1007/s00339-003-2434-8
24. A. C. Hewson, The Kondo Problem to Heavy Fermions (Cambridge University Press, Cambridge, 1993). 10.1017/CBO9780511470752
25. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993) 10.1103/PhysRevB.47. 558
26. G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993) 10.1103/PhysRevB.48.13115
27. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996) 10.1016/0927-0256(96)00008-0
28. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
29. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
30. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992). 10.1103/PhysRevB.46. 6671
31. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998). 10.1103/PhysRevB.57.1505
32. M. Cococcioni and S. de Gironcoli, Phys. Rev. B 71, 035105 (2005). 10.1103/PhysRevB.71.035105
33. B. A. Sexton and R. J. Madix, Chem. Phys. Lett. 76, 294 (1980). 10.1016/0009-2614(80)87024-2
34. C. Backx, C. P. M. De Groot, and P. Biloen, Surf. Sci. 104, 300 (1981). 10.1016/0039-6028(81)90137-0
35. Richard Martin, Electronic Structure: Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004).
36. S. Monturet and N. Lorente, Phys. Rev. B 78, 035445 (2008). 10.1103/PhysRevB.78.035445
37. N. Lorente and M. Persson, Faraday Discuss. 117, 277 (2000). 10.1039/b002826f
38. M. Galperin, M. A. Ratner, and A. Nitzan, J. Chem. Phys. 121, 11965 (2004). 10.1063/1.1814076
39. T. Frederiksen, M. Brandbyge, N. Lorente, and A.-P. Jauho, Phys. Rev. Lett. 93, 256601 (2004). 10.1103/PhysRevLett.93.256601
40. G. C. Solomon, A. Gagliardi, A. Pecchia, T. Frauenheim, A. Di Carlo, J. R. Reimers, and N. S. Hush, J. Chem. Phys. 124, 094704 (2006). 10.1063/1.2166362
41. D. A. Ryndyk, M. Hartung, and G. Cuniberti, Phys. Rev. B 73, 045420 (2006). 10.1103/PhysRevB.73.045420
42. The integration up to E F of the PDOS corresponding to the π g orbitals gives values of 1.35 e in O 2 [001] and 1.8 e in the O 2 [1 1 ̄ 0].
43. F. E. Olsson, N. Lorente, and M. Persson, Surf. Sci. 522, L27 (2003). 10.1016/S0039-6028(02)02358-0
44. A. Puisto, H. Pitkänen, M. Alatalo, S. Jaatinen, P. Salo, A. S. Foster, T. Kangas, and K. Laasonen, Catal. Today 100, 403 (2005). 10.1016/j.cattod.2004.09.072
45. H. Haug and A.-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer-Verlag, Berlin, 1996).
46. J. R. Reimers, G. C. Solomon, A. Gagliardi, A. Bilić, N. S. Hush, T. Frauenheim, A. Di Carlo, and A. Pecchia, J. Phys. Chem. A 111, 5692 (2007). 10.1021/jp070598y
47. T. Frederiksen, K. J. Franke, A. Arnau, G. Schulze, J. I. Pascual, and N. Lorente, Phys. Rev. B 78, 233401 (2008). 10.1103/PhysRevB.78.233401
48. H. Ness, J. Phys.: Condens. Matter 18, 6307 (2006). 10.1088/0953-8984/18/ 27/014
49. M. Galperin, A. Nitzan, and M. A. Ratner, Phys. Rev. B 73, 045314 (2006). 10.1103/PhysRevB.73.045314
50. R. Härtle, C. Benesch, and M. Thoss, Phys. Rev. Lett. 102, 146801 (2009). 10.1103/PhysRevLett.102.146801
51. T. Frederiksen, M. Paulsson, M. Brandbyge, and A.-P. Jauho, Phys. Rev. B 75, 205413 (2007). 10.1103/PhysRevB.75.205413