Surface reconstruction and electronic properties of clean and hydrogenated diamond (111) surfaces

Surface Science

Volumn 357-358, Issue , 1996, Pages 422-426

  Kern, G ^a   Hafner, J ^a   Furthmuller J ^a   Kresse, G ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Density functional calculations; Diamond; Low index single crystal surfaces; Semiconducting surfaces

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELECTRONIC PROPERTIES; HYDROGENATION; PROBABILITY DENSITY FUNCTION; SEMICONDUCTING DIAMONDS; SINGLE CRYSTALS; SURFACE TREATMENT;

DANGLING BONDS; DENSITY FUNCTIONAL CALCULATIONS; HYDROGENATED DIAMOND SURFACES; LOW INDEX SINGLE CRYSTAL SURFACES; SEMICONDUCTING SURFACES;

SURFACES;

EID: 0030169179     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00192-6     Document Type: Article

References (17)

1. B.B. Pate, Surf. Sci. 165 (1986) 83.
2. A.V. Hamza, G.D. Kubiak and R.H. Stulen, Surf. Sci. 206 (1988) L833.
3. H.G. Busmann, S. Lauer, I.V. Hertel, W. Zimmermann, H.J. Günterodt, Th. Frauenheim, P. Blaudeck and D. Porezag, Surf. Sci. 295 (1993) 340.
4. S. Iarlori, G. Galli, F. Gygi, M. Parrinello and E. Tosatti, Phys. Rev. Lett. 69 (1992) 2947.
5. C. Kress, M. Fiedler and F. Bechstedt, Europhys. Lett. 28 (1994) 433; W.G. Schmidt and F. Bechstedt, Phys. Rev. Lett., submitted.
6. C. Kress, M. Fiedler and F. Bechstedt, Europhys. Lett. 28 (1994) 433; W.G. Schmidt and F. Bechstedt, Phys. Rev. Lett., submitted.
7. T. Frauenheim, U. Stephan, P. Blaudeck, D. Porezag, H.G. Bussmann, W. Zimmermann-Edling and S. Lauer, Phys. Rev. B 48 (1993) 18189.
8. G. Kresse and J. Hafner, Phys. Rev. B 47 (1993) 558; 48 (1993) 13115; 49 (1994) 14251.
9. G. Kresse and J. Hafner, Phys. Rev. B 47 (1993) 558; 48 (1993) 13115; 49 (1994) 14251.
10. G. Kresse and J. Hafner, Phys. Rev. B 47 (1993) 558; 48 (1993) 13115; 49 (1994) 14251.
11. J. Furthmüller, J. Hafner and G. Kresse, Europhys. Lett. 28 (1994) 659.
12. J. Furthmüller, J. Hafner and G. Kresse, Phys. Rev. B 50 (1994) 15606.
13. M. Methfessel and A.T. Paxton, Phys. Rev. B 40 (1986) 3616.
14. G. Kern, J. Hafner, G. Kresse and J. Furthmüller, to be published.
15. X.M. Zheng and P.V. Smith, Surf. Sci. 261 (1992) 394.
16. F.J. Himpsel, D.E. Eastman, P. Heimann and J.F. van der Veen, Phys. Rev. B 24 (1981) 7270.
17. R. Graupner, J. Ristein and L. Ley, Surf. Sci. 320 (1994) 201.