Ab initio calculation of the reflectance anisotropy of GaAs(110)

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 4, 1998, Pages 1922-1927

  Pulci, Olivia ^a   Onida, Giovanni ^a   Del Sole, Rodolfo ^a   Shkrebtii, Anatoli J ^b  

^a UNIVERSITY OF ROME TOR VERGATA   (Italy)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001695591     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.1922     Document Type: Article

References (37)

1. J. L. A. Alves, J. Hebenstreit, and M. Sheffler, Phys. Rev. B 44, 6188 (1991).
2. R. Del Sole, in Photonic Probes of Surfaces, edited by P. Halevi (Elsevier, Amsterdam 1995), p. 131.
3. F. Manghi, R. Del Sole, A. Selloni, and E. Molinari, Phys. Rev. B 41, 9935 (1990).
4. S. J. Morris, J. M. Bass, C. C. Matthai, V. Milman, and M. C. Payne, J. Vac. Sci. Technol. B 12, 2684 (1994).
5. S. J. Morris, J. M. Bass, and C. C. Matthai, Phys. Rev. B 52, 16 739 (1995).
6. L. Kipp, D. K. Biegelsen, J. E. Northrup, L.-E. Swartz, and R. D. Bringans, Phys. Rev. Lett. 76, 2810 (1996).
7. C. Kress, A. I. Shkrebtii, and R. Del Sole, Surf. Sci. 377-79, 398 (1997).
8. M. S. Hybertsen and S. G. Louie, Phys. Rev. B 35, 5585 (1987).
9. A. F. Starace, Phys. Rev. A 3, 1242 (1971).
10. V. L. Berkovits, V. A. Kiselev, and V. I. Safarov, Surf. Sci. 211/212, 489 (1989).
11. N. Esser, N. Hunger, J. Rumberg, W. Richter, R. Del Sole, and A. I. Shkrebtii, Surf. Sci. 307/309, A 1045 (1994).
12. A. I. Shkrebtii and R. Del Sole (unpublished).
13. A. Bagchi, R. G. Barrera, and A. K. Rajagopal, Phys. Rev. B 20, 4824 (1979).
14. R. Del Sole, Solid State Commun. 37, 537 (1981).
15. R. Del Sole and E. Fiorino, Phys. Rev. B 29, 4631 (1984).
16. O. Pulci, G. Onida, A. I. Shkrebtii, R. Del Sole, and B. Adolph, Phys. Rev. B 55, 6685 (1997).
17. R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer, Berlin, 1990).
18. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
19. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
20. G. Bachelet, D. R. Hamann, and M. Schlüter, Phys. Rev. B 26, 4199 (1982).
21. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
22. G. Schmidt, F. Bechstedt, and G. P. Srivastava, Phys. Rev. B 52, 2001 (1995).
23. G. Onida and R. Del Sole (unpublished).
24. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
25. The relatively high value of the gap at Γ is a common feature of the calculations, which employ the present pseudopotential at the theoretical lattice constant. We have repeated the calculations using a different numerical pseudopotential generated within the Hamann scheme [D. R. Hamann, Phys. Rev. B 40, 2980 (1989)], yielding a smaller direct bulk gap of 0.8 eV. Nevertheless, the RA spectra calculated using the two pseudopotentials are very similar to each other. This substantiates our conjecture that the value of the minimum bulk gap is not important for obtaining the surface optical properties. As a consequence, the inclusion of nonlinear core corrections, whose main effect is to reduce the bulk minimum gap, is not expected to change qualitatively the present results.
26. D. E. Aspnes and A. A. Studna, Phys. Rev. B 27, 985 (1983).
27. R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. B 37, 10 159 (1988).
28. A. Huijser, J. van Laar, and T. L. van Rooy, Surf. Sci. 62, 472 (1977).
29. D. Straub, M. Skibowski, and F. Himpsel, Phys. Rev. B 32, 5237 (1985).
30. M. Skibowski and L. Kipp, J. Electron Spectrosc. Relat. Phenom. 68, 77 (1994).
31. H. Carstensen, R. Claessen, R. Manzke, and M. Skibowski, Phys. Rev. B 41, 9880 (1990).
32. Actually a larger shift should be applied to the empty surface bands to agree with the findings of B. Reihl, T. Riesterer, M. Tschudy, and P. Perfetti, Phys. Rev. B 38, 13456 (1988). In this work, however, the gaps between surface states are larger than those of Ref. 30.
33. X. Zhu, S. B. Zhang, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. 63, 2112 (1989).
34. O. Pulci, G. Onida, C. Kress, A. I. Shkrebtii, and R. Del Sole, in Proceedings of the 23rd International Conference on the Physics of Semiconductors, Berlin, 1996, edited by M. Sheffler and R. Zimmerman (World Scientific, Singapore, 1996), p. 815.
35. F. Bechstedt, R. Del Sole, and F. Manghi, J. Phys. (Paris) 1, SB75 (1989).
36. F. Bechstedt and R. Del Sole, Solid State Commun. 74, 41 (1990).
37. B. Adolph, V. Gavrilenko, K. Tenelsen, F. Bechstedt, and R. Del Sole, Phys. Rev. B 53, 9797 (1996).