Early stages of cesium adsorption on the As-rich c(2 × 8) reconstruction of GaAs(001): Adsorption sites and Cs-induced chemical bonds

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 20, 2003, Pages

  Hogan, C ^a   Paget, D ^b   Garreau, Y ^c   Sauvage, M ^c   Onida, G ^d   Reining, L ^e   Chiaradia, P ^a   Corradini, V ^f  

^a UNIVERSITY OF ROME TOR VERGATA   (Italy)

^b LABORATOIRE DE PHYSIQUE DE LA MATIÈRE CONDENSÉE   (France)

^c UNIVERSITÉ PARIS SACLAY   (France)

^d UNIVERSITY OF MILAN   (Italy)

^e LABORATOIRE DES SOLIDES IRRADIÉS   (France)

^f UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC; CESIUM; GALLIUM;

ADSORPTION; ARTICLE; CHEMICAL BOND; DENSITY; ENERGY TRANSFER; IONIZATION; PHYSICAL CHEMISTRY; QUANTUM MECHANICS; QUANTUM THEORY; SURFACE PROPERTY; X RAY DIFFRACTION;

EID: 0347415747     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.205313     Document Type: Article

References (53)

1. G. Vergara, L.J. Gomez, J. Capmany, and M.T. Montojo, Surf. Sci. 131, 278 (1992).
2. D. Rodway, Surf. Sci. 103, 147 (1984).
3. H. Hamamatsu, H.W. Yeom, T. Yokoyama, T. Kayama, and T. Ohta, Phys. Rev. B 57, 11 883 (1998).
4. M. Prietsch, M. Domke, T. Mandel, C. Xue, and G. Kaindl, Z. Phys. B: Condens. Matter 74, 1989 (1989).
5. J.A. Martin-Gago, M.C. Asensio, P. Aebi, R. Fasel, D. Naumovic, J. Osterwalder, M.C. Refolio, J.M. Lopez-Sancho, and J. Rubio, Phys. Rev. B 57, 9201 (1998).
6. N.J. DiNardo, T.M. Wong, and E.W. Plummer, Phys. Rev. Lett. 65, 2177 (1990).
7. K.D. Lee and J. Chung, Phys. Rev. B 55, 12 906 (1997).
8. L.J. Whitman, J.A. Stroscio, R.A. Dragoset, and R.J. Celotta, Phys. Rev. Lett. 66, 1338 (1991).
9. H.L. Meyerheim, R. Sawitzki, and W. Moritz, Phys. Rev. B 52, 16 830 (1995), and references therein.
10. H.L. Meyerheim, N. Jedrecy, M. Sauvage-Simkin, and R. Pinchaux, Phys. Rev. B 58, 2118 (1998), and references therein.
11. M.G. Betti, V. Corradini, M. Sauvage-Simkin, and R. Pinchaux, Phys. Rev. B 66, 085335 (2002).
12. F. Bechstedt and M. Scheffler, Surf. Sci. Rep. 18, 145 (1993).
13. K.M. Song and A.K. Ray, Phys. Rev. B 50, 14 255 (1994).
14. H. Ishida and K. Terakura, Phys. Rev. B 40, 11 519 (1989).
15. W.M. Mönch, Semiconductor Surfaces and Interfaces (Springer, Berlin, 1993), Vol. 26.
16. P.N. First, R.A. Dragoset, J.A. Stroscio, R.J. Celotta, and R.M. Feenstra, J. Vac. Sci. Technol. A 7, 2868 (1989).
17. D.M. Riffe, G.K. Wertheim, J.E. Rowe, and P.H. Citrin, Phys. Rev. B 45, 3532 (1992).
18. V.L. Alperovich and D. Paget, Phys. Rev. B 56, R15 565 (1997).
19. V. Heine, Phys. Rev. 138, A1689 (1965).
20. Y. Garreau, M. Sauvage-Simkin, N. Jedrecy, R. Pinchaux, and M.B. Veron, Phys. Rev. B 54, 17 638 (1996).
21. T. Hashizume, Q.K. Xue, J. Zhou, A. Ichimiya, and T. Sakurai, Phys. Rev. Lett. 73, 2208 (1994).
22. W.G. Schmidt and F. Bechstedt, Phys. Rev. B 54, 16 742 (1996).
23. B. Goldstein, Surf. Sci. 47, 143 (1975).
24. J. Kim, M.C. Gallagher, and R.F. Willis, Appl. Surf. Sci. 67, 286 (1993).
25. R. Rincon, J. Ortega, F. Flores, A.L. Yeyati, and A. Martin-Rodero, Phys. Rev. B 52, 16 345 (1995).
26. C. Hogan, D. Paget, O. E. Tereshchenko, L. Reining, and G. Onida (unpublished).
27. S.G. Louie, S. Froyen, and M.L. Cohen, Phys. Rev. B 26, 1738 (1982).
28. The alternative strategy of including only the 6s electron in the valence and using the NLCC scheme (Ref. 27) was also considered, but it was found to yield considerably less satisfactory results.
29. D.R. Hamann, Phys. Rev. B 40, 2980 (1989).
30. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
31. G.B. Bachelet, D.R. Hamann, and M. Schlüter, Phys. Rev. B 26, 4199 (1982).
32. I. Moullet, W. Andreoni, and P. Giannozzi, J. Chem. Phys. 90, 7306 (1989).
33. A.R. Miedema and J.W.F. Dorleijn, Surf. Sci. 447, 95 (1980).
34. O.E. Tereshchenko, V.S. Voronin, H.E. Scheibler, V.L. Alperovich, and A.S. Terekhov, Surf. Sci. 507–510, 51 (2002).
35. M. Domke, T. Mandel, C. Laubschat, M. Prietsch, and G. Kaindl, Surf. Sci. 189/190, 268 (1987).
36. E. Vlieg, J. Appl. Crystallogr. 33, 401 (2000).
37. −3 exist between the experimental and theoretical reduced coordinates. These differences produce an increase of (Formula presented) which is not related to Cs adsorption.
38. J.H. VanVucht, J. Less-Common Met. 109, 163 (1985).
39. The experimental surface does not have metallic—i.e., conductive—character, because at low coverage interactions between neighboring Cs are weak and possibly also because of charge transfer to bulk states of the solid as shown in Ref. 40. Our ideal, periodic surface calculation overestimates the strength of these interactions, so that the presence of a partially occupied band does not imply that the surface is electrically conductive.
40. V.L. Alperovich, A.G. Paulish, and A.S. Terekhov, Phys. Rev. B 50, 5480 (1994).
41. M.D. Pashley and K.W. Haberern, Phys. Rev. Lett. 67, 2697 (1991).
42. P. Bennich, C. Puglia, P.A. Bruhwiler, A. Nilsson, A.J. Maxwell, A. Sandell, N. Martensson, and P. Rudolf, Phys. Rev. B 59, 8292 (1999).
43. The thick vacuum calculations were performed with a thinner substrate (eight layers) due to computational limitations. However, we verified that the electrostatic potential in layers 2–5 matched that of the thick slab to within 0.01 eV.
44. J. Neugebauer and M. Scheffler, Phys. Rev. B 46, 16 067 (1992).
45. A. Baldereschi, S. Baroni, and R. Resta, Phys. Rev. Lett. 61, 734 (1988).
46. H. Tsuda and T. Muzutani, Appl. Phys. Lett. 60, 1570 (1992).
47. R.H. Miwa and G.P. Srivastava, Phys. Rev. B 62, 15 778 (2000).
48. sat, which is known to approximately correspond with the concentration of substrate atoms (Refs. 1 and 2).
49. e = 9.0e precisely.
50. Values taken from http://www.webelements.com, and references therein.
51. I. Lefebvre, M. Lannoo, and G. Allan, Europhys. Lett. 10, 359 (1989).
52. M. Lannoo and P. Friedel, Atomic and Electronic Surface States (Springer, Berlin, 1991), Vol. 2.
53. K. Kobayashi, Y. Morikawa, K. Terakura, and S. Blügel, Phys. Rev. B 45, 3469 (1992).