Structural and optical properties of the Ge(111)-(2 × 1) surface

Physical Review Letters

Volumn 85, Issue 25, 2000, Pages 5440-5443

  Rohlfing, Michael ^a   Palummo, Maurizia ^b   Onida, Giovanni ^b   Del Sole, Rodolfo ^b  

^a UNIVERSITY OF MÜNSTER   (Germany)

^b UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; ELECTRODYNAMICS; EXCITONS; ISOMERS; LIGHT REFLECTION; MOLECULAR STRUCTURE; NUMERICAL METHODS; SCANNING TUNNELING MICROSCOPY; SEMICONDUCTING SILICON; STRUCTURE (COMPOSITION); SURFACE PROPERTIES;

BUCKLED PANDEY CHAINS; ELECTRON HOLE INTERACTION EFFECTS; LOWEST ENERGY ISOMERS; OPTICAL DIFFERENTIAL REFLECTIVITY;

SEMICONDUCTING GERMANIUM;

EID: 0034516590     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.85.5440     Document Type: Article

References (30)

1. N. Takeuchi, A. Selloni, A. I. Shkrebtii, and E. Tosatti, Phys. Rev. 44, 13611 (1991).
2. V. A. Grazhulis, Appl. Surf. Sci. 33/34, 1 (1988).
3. F. Ancilotto, W. Andreoni, A. Selloni, R. Car, and M. Parrinello, Phys. Rev. Lett. 65, 3148 (1990).
4. M. Zitzlsperger, R. Honke, P. Pavone, and U. Schroder, Surf. Sci. 377-379, 108 (1997).
5. K. C. Pandey, Phys. Rev. Lett. 47, 1913 (1981); 49, 223 (1982).
6. K. C. Pandey, Phys. Rev. Lett. 47, 1913 (1981); 49, 223 (1982).
7. S. Nannarone, P. Chiaradia, F. Ciccacci, R. Memeo, P. Sassaroli, S. Selci, and G. Chiarotti, Solid State Commun. 33, 593 (1980).
8. P. Chiaradia, A. Cricenti, S. Selci, and G. Chiarotti, Phys. Rev. Lett. 52, 1145 (1984).
9. F. Ciccacci, S. Selci, G. Chiarotti, and P. Chiaradia, Phys. Rev. Lett. 56, 2411 (1986).
10. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, Phys. Rev. Lett. 66, 500 (1991).
11. L. Reining and R. Del Sole, Phys. Rev. Lett. 67, 3816 (1991).
12. M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 83, 856 (1999).
13. G. Onida, L. Reining, R. W. Godby, R. Del Sole, and W. Andreoni, Phys. Rev. Lett. 75, 818 (1995); M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 80, 3320 (1998); S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. 80, 4510 (1998); L. X. Benedict, E. L. Shirley, and R. B. Bohn, Phys. Rev. Lett. 80, 4514 (1998).
14. G. Onida, L. Reining, R. W. Godby, R. Del Sole, and W. Andreoni, Phys. Rev. Lett. 75, 818 (1995); M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 80, 3320 (1998); S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. 80, 4510 (1998); L. X. Benedict, E. L. Shirley, and R. B. Bohn, Phys. Rev. Lett. 80, 4514 (1998).
15. G. Onida, L. Reining, R. W. Godby, R. Del Sole, and W. Andreoni, Phys. Rev. Lett. 75, 818 (1995); M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 80, 3320 (1998); S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. 80, 4510 (1998); L. X. Benedict, E. L. Shirley, and R. B. Bohn, Phys. Rev. Lett. 80, 4514 (1998).
16. G. Onida, L. Reining, R. W. Godby, R. Del Sole, and W. Andreoni, Phys. Rev. Lett. 75, 818 (1995); M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 80, 3320 (1998); S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. 80, 4510 (1998); L. X. Benedict, E. L. Shirley, and R. B. Bohn, Phys. Rev. Lett. 80, 4514 (1998).
17. C. Goletti and P. Chiaradia (private communication).
18. D. R. Hamann, Phys. Rev. B 40, 2980 (1989); M. Fuchs and M. Scheffler. Comput. Phys. Commun. 119, 67 (1999).
19. D. R. Hamann, Phys. Rev. B 40, 2980 (1989); M. Fuchs and M. Scheffler. Comput. Phys. Commun. 119, 67 (1999).
20. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
21. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
22. V. Fiorentini, Phys. Rev. B 46, 2086 (1992).
23. The large number of k points required to achieve convergence also represents a warning against the somewhat common practice to use small k-point sets in total energy calculations for this class of surfaces.
24. The optimized atomic positions are available by e-mail upon request to onida@roma2.infn.it
25. J. M. Nicholls et al., Phys. Rev. B 27, 2594 (1983); J. M. Nicholls et al., Phys. Rev. Lett. 52, 1555 (1984).
26. J. M. Nicholls et al., Phys. Rev. B 27, 2594 (1983); J. M. Nicholls et al., Phys. Rev. Lett. 52, 1555 (1984).
27. S. Solal et al., Phys. Rev. Lett. 52, 360 (1984).
28. J. M. Nicholls and B. Reihl, Surf. Sci. 218, 237 (1989).
29. X. Zhu and S. G. Louie, Phys. Rev. B 43, 12146 (1991).
30. H. Hirayama, N. Sugihara, and K. Takanayagi, Phys. Rev. B 62, 6900 (2000).