First-principles simulations of STM images: From tunneling to the contact regime

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 8, 2004, Pages

  Blanco, Jose Manuel ^a   González, Cesar ^a   Jelínek, Pavel ^a,b   Ortega, José ^a   Flores, Fernando ^a   Pérez, Rubén ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b INSTITUTE OF MATHEMATICS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM;

ARTICLE; CALCULATION; CHEMICAL INTERACTION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY; FORCE; GEOMETRY; IMAGE ANALYSIS; SCANNING TUNNELING MICROSCOPY; SIMULATION;

EID: 19544382024     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.085405     Document Type: Article

References (41)

1. G. Binnig, H. Rohrer, Ch. Gerber, and E. Weibel, Phys. Rev. Lett. 49, 57 (1982).
2. W. A. Hofer, Adam S. Foster, and A. L. Shluger, Rev. Mod. Phys. 75, 1287 (2003).
3. P. Sautet, Chem. Rev. (Washington, D.C.) 97, 1097 (1997).
4. J. Tersoff and D. R. Hammann, Phys. Rev. B 31, 805 (1985).
5. J. Wintterlin, J. Wiechers, H. Brune, T. Gritsch, H. Höfer, and R. J. Behm, Phys. Rev. Lett. 62, 59 (1989).
6. V. M. Hallmark, S. Chiang, J. F. Rabolt, J. D. Swalen, and R. J. Wilson, Phys. Rev. Lett. 59, 2879 (1987).
7. C. J. Chen, Phys. Rev. Lett. 65, 448 (1990).
8. C. J. Chen, Introduction to Scanning Tunneling Microscopy (Oxford University, Oxford, 1993).
9. C. Klein, A. Eichler, E. L. D. Hebenstreit, G. Pauer, R. Koller, A. Winkler, M. Schmid, and P. Varga, Phys. Rev. Lett. 90, 176101 (2003).
10. K. Hirose and M. Tsukada, Phys. Rev. Lett. 73, 150 (1994).
11. G. Doyen, D. Drakova, and M. Scheffler, Phys. Rev. B 47, 9778 (1993).
12. H. Ness and A. J. Fisher, Phys. Rev. Lett. 56, 12 469 (1997).
13. S. Corbel, J. Cerda, and P. Sautet, Phys. Rev. B 60, 1989 (1999).
14. P. Sautet and C. Joachim, Phys. Rev. B 38, 12 238 (1988).
15. J. Cerda, M. A. Van Hove, P. Sautet, and M. Salmeron, Phys. Rev. B 56, 15 885 (1997).
16. A. W. Hofer, A. J. Fisher, R. A. Wolkow, and P. Grütter, Phys. Rev. Lett. 87, 236104 (2001).
17. N. Mingo, L. Jurczyszyn, F. J. Garcia-Vidal, R. Saiz-Pardo, P. L. de Andres, F. Flores, S. Y. Wu, and W. More, Phys. Rev. B 54, 2225 (1996).
18. J. P. Lewis, K. R. Glaeseman, G. A. Voth, J. Fritsch, A. A. Demkov, J. Ortega, and O. F. Sankey, Phys. Rev. B 64, 195103 (2001); P. Jelinek et al. (unpublished).
19. J. P. Lewis, K. R. Glaeseman, G. A. Voth, J. Fritsch, A. A. Demkov, J. Ortega, and O. F. Sankey, Phys. Rev. B 64, 195103 (2001); P. Jelinek et al. (unpublished).
20. M. Di Ventra and S. T. Pantelides, Phys. Rev. B 59, R5320 (1999).
21. CASTEP 4.2 Academic version, licensed under the UKCP-MSI Agreement, 1999.
22. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
23. 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).
24. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
25. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
26. M. J. Gillan, J. Phys.: Condens. Matter 1, 689 (1989).
27. L. V. Keldysh, Sov. Phys. JETP 20, 1018 (1965).
28. M. Büttiker, Y. Imry, R. Landauer, and S. Pinhas, Phys. Rev. B 31, 6207 (1985).
29. G. Taraschi, J.-L. Mozos, C. C. Wan, H. Guo, and J. Wang, Phys. Rev. B 58, 13 138 (1998).
30. H. Mehrez, A. Wlasenko, B. Larade, J. Taylor, P. Grutter, and H. Guo, Phys. Rev. B 65, 195419 (2002).
31. M. Brandbyge, J.-L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002).
32. J. J. Palacios, A. J. Perez-Jimenez, E. Louis, E. SanFabian, and J. A. Verges, Phys. Rev. B 66, 035322 (2002).
33. J. Heurich, J. C. Cuevas, W. Wenzel, and G. Schön, Phys. Rev. Lett. 88, 256803 (2002).
34. J. Ortega, R. Perez, and F. Flores, J. Phys.: Condens. Matter 12, L21 (2000).
35. J. Ortega, Comput. Mater. Sci. 12, 192 (1998).
36. P. Jelinek, R. Prez, J. Ortega, and F. Flores, Phys. Rev. B 68, 085403 (2003).
37. A more detailed account of this mechanical instability will be published elsewhere.
38. P. Dieska, I. Stich, and R. Perez, Phys. Rev. Lett. 91, 216401 (2003).
39. J. M. Pitarque, P. M. Echenique, and F. Flores, Surf. Sci. 217, 267 (1989).
40. J. Ferrer, A. Mart́n-Rodero, and F. Flores, Phys. Rev. B 38, 10 113 (1988).
41. R. Garcia and R. Perez, Surf. Sci. Rep. 47, 197 (2002).