First-principles study of low-index surfaces of lead

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 15, 2004, Pages

  Yu, Dengke ^a   Scheffler, Matthias ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

LEAD; METAL;

AB INITIO CALCULATION; ANISOTROPY; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRON DIFFRACTION; ENERGY; OSCILLATION; SURFACE PROPERTY; VACUUM;

EID: 45849155937     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.155417     Document Type: Article

References (44)

1. H. P. Bonzel and A. Emundts, Phys. Rev. Lett. 84, 5804 (2000).
2. H. P. Bonzel, Prog. Surf. Sci. 67, 45 (2001).
3. C. Bombis, A. Emundts, M. Nowicki, and H. P. Bonzel, Surf. Sci. 511, 83 (2002).
4. M. Nowicki, C. Bombis, A. Emundts, and H. P. Bonzel, Phys. Rev. B 67, 075405 (2003).
5. M. Mansfield and R. J. Needs, Phys. Rev. B 43, 8829 (1991).
6. P. J. Feibelman, Phys. Rev. B 62, 17 020 (2000); 65, 129902(E) (2002).
7. P. J. Feibelman, Phys. Rev. B 62, 17 020 (2000); 65, 129902(E) (2002).
8. L. Vitos, A. V. Ruban, H. L. Skriver, and J. Kollár, Surf. Sci. 411, 186 (1998).
9. I. Galanakis, N. Papanikolaou, and P. H. Dederichs, Surf. Sci. 511, 1 (2002).
10. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
11. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
12. S. H. Vosko, L. Wilk, and N. Nusair, Can. J. Phys. 58, 1200 (1980).
13. J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991).
14. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
15. J. W. M. Frenken, F. Huussen, and J. F. van der Veen, Phys. Rev. Lett. 58, 401 (1987).
16. Y. S. Li, J. Quinn, F. Jona, and P. M. Marcus, Phys. Rev. B 40, 8239 (1989).
17. U. Breuer, K. C. Prince, H. P. Bonzel, W. Oed, K. Heinz, G. Schmidt, and K. Müller, Surf. Sci. 239, L493 (1990).
18. R. F. Lin, Y. S. Li, F. Jona, and P. M. Marcus, Phys. Rev. B 42, 1150 (1990).
19. Y. S. Li, F. Jona, and P. M. Marcus, Phys. Rev. B 43, 6337 (1991).
20. M. W. Finnis and V. Heine, J. Phys. F: Met. Phys. 4, L37 (1974).
21. P. Jiang, P. M. Marcus, and F. Jona, Solid State Commun. 59, 275 (1986).
22. U. Landman, R. N. Hill, and M. Mostoller, Phys. Rev. B 21, 448 (1980).
23. J. H. Cho, Ismail, Z. Y. Zhang, and E. W. Plummer, Phys. Rev. B 59, 1677 (1999).
24. G. Allan and M. Lannoo, Phys. Rev. B 37, 2678 (1988).
25. M. Bockstedte, A. Kley, J. Neugebauer, and M. Scheffler, Comput. Phys. Commun. 107, 187 (1997).
26. D. R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
27. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
28. M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67 (1999).
29. N. E. Christensen, S. Satpathy, and Z. Pawlowska, Phys. Rev. B 34, 5977 (1986).
30. A. Y. Liu, A. García, M. L. Cohen, B. K. Godwal, and R. Jeanloz, Phys. Rev. B 43, 1795 (1991).
31. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
32. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
33. P. Blaha (private communication).
34. Y. K. Vohra and A. L. Ruoff, Phys. Rev. B 42, 8651 (1990).
35. http://www.codata.org/codata/databases/key1.html
36. F. K. Schulte, Surf. Sci. 55, 427 (1976).
37. C. M. Wei and M. Y. Chou, Phys. Rev. B 66, 233408 (2002).
38. See, e.g., M. C. Desjonqueres and D. Spanjaard, Concepts in Surface Physics (Springer-Verlag, Berlin, 1993).
39. J. M. Pitarke and A. G. Eguiluz, Phys. Rev. B 57, 6329 (1998).
40. 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).
41. S. Kurth, J. P. Perdew, and P. Blaha, Int. J. Quantum Chem. 75, 889 (1999).
42. V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, Phys. Rev. B 69, 075102 (2004).
43. L. Vitos, B. Johansson, J. Kollár, and H. L. Skriver, Phys. Rev. B 62, 10 046 (2000).
44. C. M. Wei and M. Y. Chou (private communication).