Effects beyond the random-phase approximation in calculating the interaction between metal films

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 20, 2004, Pages

  Jung, J ^a   Garcia Gonzalez P ^a,b   Dobson, J F ^c   Godby, R W ^d  

^a UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^c GRIFFITH UNIVERSITY   (Australia)

^d UNIVERSITY OF YORK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

METAL;

ARTICLE; BINDING AFFINITY; ELECTRON; ENERGY; FILM; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; THEORY;

EID: 42749106254     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.205107     Document Type: Article

References (67)

1. D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975); Phys. Rev. B 15, 2884 (1977).
2. D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975); Phys. Rev. B 15, 2884 (1977).
3. E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984).
4. E. K. U. Gross, J. F. Dobson, and M. Petersilka, in Density Functional Theory II, edited by R. F. Nalewajski (Springer, Berlin, 1996).
5. G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002), and references therein.
6. J. M. Pitarke and A. G. Eguiluz, Phys. Rev. B 57, 6329 (1998); 63, 045116 (2001).
7. J. M. Pitarke and A. G. Eguiluz, Phys. Rev. B 57, 6329 (1998); 63, 045116 (2001).
8. J. F. Dobson and J. Wang, Phys. Rev. Lett. 82, 2123 (1999).
9. M. Lein, E. K. U. Gross, and J. P. Perdew, Phys. Rev. B 61, 13 431 (2000).
10. J. F. Dobson and J. Wang, Phys. Rev. B 62 10 038 (2000).
11. F. Furche, Phys. Rev. B 64, 195120 (2001).
12. M. Fuchs and X. Gonze, Phys. Rev. B 65, 235109 (2002).
13. F. Aryasetiawan, T. Miyake, and K. Terakura, Phys. Rev. Lett. 88, 166401 (2002); M. Fuchs, K. Burke, Y. M. Niquet, and X. Gonze, ibid. 90, 189701 (2003); F. Aryasetiawan, T. Miyake, and K. Terakura, ibid. 90, 189702 (2003).
14. F. Aryasetiawan, T. Miyake, and K. Terakura, Phys. Rev. Lett. 88, 166401 (2002); M. Fuchs, K. Burke, Y. M. Niquet, and X. Gonze, ibid. 90, 189701 (2003); F. Aryasetiawan, T. Miyake, and K. Terakura, ibid. 90, 189702 (2003).
15. F. Aryasetiawan, T. Miyake, and K. Terakura, Phys. Rev. Lett. 88, 166401 (2002); M. Fuchs, K. Burke, Y. M. Niquet, and X. Gonze, ibid. 90, 189701 (2003); F. Aryasetiawan, T. Miyake, and K. Terakura, ibid. 90, 189702 (2003).
16. T. Miyake, F. Aryasetiawan, T. Kotani, M. van Schilfgaarde, M. Usuda, and K. Terakura, Phys. Rev. B 66, 245103 (2002).
17. J. M. Pitarke and J. P. Perdew, Phys. Rev. B 67, 045101 (2003).
18. B. Holm, Phys. Rev. Lett. 83, 788 (1999).
19. P. García-González and R. W. Godby, Phys. Rev. B 63, 075112 (2001).
20. P. García-González and R. W. Godby, Phys. Rev. Lett. 88, 056406 (2002).
21. R. W. Godby and P. García-González, in A primer in Density Functional Theory, edited by C. Fiolhais, F. Nogueira, and M. Marques (Springer, Berlin, 2003).
22. N. E. Dahlen and Ulf von Barth, J. Chem. Phys. 120, 6826 (2004); Phys. Rev. B 69, 195102 (2004).
23. N. E. Dahlen and Ulf von Barth, J. Chem. Phys. 120, 6826 (2004); Phys. Rev. B 69, 195102 (2004).
24. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
25. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
26. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
27. P. Sánchez-Friera and R. W. Godby, Phys. Rev. Lett. 85, 5611 (2000).
28. B. Holm and F. Aryasetiawan, Phys. Rev. B 62, 4858 (2000).
29. T. Miyake, F. Aryasetiawan, H. Kino, and K. Terakura, Phys. Rev. B 64, 233109 (2001).
30. H. Rydberg, M. Dion, N. Jacobson, E. Schröder, P. Hyldgaard, S. I. Simak, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 91, 126402 (2003).
31. 0.
32. J. F. Dobson, K. McLennan, A. Rubio, J. Wang, T. Gould, H. M. Le, and B. P. Dinte, Aust. J. Chem. 54, 513 (2001), and references therein.
33. Y. Andersson, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 76, 102 (1996).
34. M. Petersilka, U. J. Gossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996).
35. M. Corradini, R. Del Sole, G. Onida, and M. Palummo, Phys. Rev. B 57, 14 569 (1998).
36. M. Palummo, G. Onida, R. Del Sole, M. Corradini, and L. Reining, Phys. Rev. B 60, 11 329 (1999).
37. K. Tatarczyk, A. Schindlmayr, and M. Scheffler, Phys. Rev. B 63, 235106 (2001).
38. F. Sottile, V. Olevano, and L. Reining, Phys. Rev. Lett. 91, 056402 (2003).
39. A. Marini, R. Del Sole, and A. Rubio, Phys. Rev. Lett. 91, 256402 (2003).
40. C. F. Richardson and N. W. Ashcroft, Phys. Rev. B 50, 8170 (1994).
41. K. Utsumi and S. Ichimaru, Phys. Rev. B 22, 5203 (1980).
42. B. Farid, V. Heine, G. E. Engel, and I. J. Robertson, Phys. Rev. B 48, 11602 (1993).
43. J. F. Dobson, Phys. Rev. Lett. 73, 2244 (1994).
44. J. Hubbard, Proc. R. Soc. London, Ser. A 243, 336 (1957).
45. A. Tsolakidis, E. L. Shirley, and R. M. Martin, Phys. Rev. B 69, 035104 (2004), and references therein.
46. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
47. P. García-González, J. E. Alvarellos, E. Chacón, and P. Tarazona, Phys. Rev. B 62, 16063 (2000);
48. Int. J. Quantum Chem., 91, 139 (2002).
49. J. Jung, P. García-González, J. E. Alvarellos, and R. W. Godby, Phys. Rev. A 69, 052501 (2004).
50. Z. Yan, J. P. Perdew, S. Kurth, C. Fiolhais, and L. Almeida, Phys. Rev. B 61, 2595 (2000); Z. Yan, J. P. Perdew, and S. Kurth, ibid. 61, 16430 (2000).
51. Z. Yan, J. P. Perdew, S. Kurth, C. Fiolhais, and L. Almeida, Phys. Rev. B 61, 2595 (2000); Z. Yan, J. P. Perdew, and S. Kurth, ibid. 61, 16430 (2000).
52. J. P. Perdew, H. Q. Tran, and E. D. Smith, Phys. Rev. B 42, 11 627 (1987).
53. H. B. Shore and J. H. Rose, Phys. Rev. Lett. 66, 2519 (1991).
54. J. F. Dobson and J. Wang, Phys. Rev. B 69, 235104 (2004).
55. J. M. Pitarke, Phys. Rev. B 70, 087401 (2004).
56. P. H. Acioli and D. M. Ceperley, Phys. Rev. B 54, 17 199 (1996).
57. E. Krotscheck and W. Kohn, Phys. Rev. Lett. 57, 862 (1986).
58. The explicit inclusion of the homogeneous response allows the evaluation of the homogeneous and inhomogeneous correlation energies in the same fashion. Thus, we eliminate important sources of errors due to not fully consistent comparisons of both energies.
59. Of course, the exchange surface energy is the same for all the ACFDT approximation and it is calculated using the exact expressions.
60. B. E. Sernelius and P. Björk, Phys. Rev. B 57, 6592 (1998).
61. P. M. Axilrod and E. Teller, J. Chem. Phys. 11, 299 (1943); Y. Muto, Proc. Phys. Math. Soc. Jpn. 17, 629 (1943).
62. P. M. Axilrod and E. Teller, J. Chem. Phys. 11, 299 (1943); Y. Muto, Proc. Phys. Math. Soc. Jpn. 17, 629 (1943).
63. E. Engel, in A primer in Density Functional Theory, edited by C. Fiolhais, F. Nogueira, and M. Marques (Springer, Berlin, 2003), and references therein.
64. Y. M. Niquet, M. Fuchs, and X. Gonze, J. Chem. Phys. 118, 9504 (2003).
65. A. G. Eguiluz, Phys. Rev. B 31, 3303 (1985).
66. J. F. Dobson, Phys. Rev. B 46, 10 163 (1992).
67. A. Liebsch, Electronic Excitations at Metal Surfaces (Plenum, New York, 1997).