Theoretical study of nitrogen adsorption on Zr(0001) surface

Surface Science

Volumn 387, Issue 1-3, 1997, Pages 300-311

  Yamamoto, M ^a   Kurahashi, M ^a   Chan, C T ^b   Ho, K M ^c   Naito, S ^a  

^a KYOTO UNIVERSITY   (Japan)

^b HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^c IOWA STATE UNIVERSITY   (United States)

Author keywords

Chemisorption; Density functional calculations; Low index single crystal surfaces; Nitrides; Nitrogen; Surface relaxation; Work functions; Zirconium

Indexed keywords

BINDING ENERGY; CHEMISORPTION; COMPUTATIONAL METHODS; CRYSTAL ORIENTATION; ELECTRONIC STRUCTURE; GAS ADSORPTION; NITROGEN; RELAXATION PROCESSES; SINGLE CRYSTALS; SURFACE PHENOMENA; SURFACE STRUCTURE;

DENSITY FUNCTIONAL THEORY (DFT); LOW INDEX SINGLE CRYSTALS;

ZIRCONIUM;

EID: 0031560004     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00365-8     Document Type: Article

References (37)

1. H.D. Shih, F. Jona, D.W. Jepsen, P.M. Marcus, Phys. Rev. Lett. 36 (1976) 798.
2. H.D. Shih, F. Jona, D.W. Jepsen, P.M. Marcus, Surf. Sci. 60 (1976) 445.
3. B.T. Jonker, J.F. Morar, R.L. Park, Phys. Rev. B 24 (1981) 2951.
4. R.L. Strong, J.L. Erskine, J. Vac. Sci. Technol. A3 (1985) 1428.
5. S.J. Garrett, R.G. Egdell, J.C. Riviére, J. Electron Spectrosc. Relat. Phenom. 54/55 (1990) 1065.
6. P.J. Feibelman, F.J. Himpsel, Phys. Rev. B 21 (1980) 1394.
7. K.C. Hui, R.H. Milne, K.A.R. Mitchell, W.T. Moore, M.Y. Zhou, Solid State Commun. 56 (1985) 83.
8. P.C. Wong, K.A.R. Mitchell, Can. J. Phys. 65 (1987) 464.
9. K. Griffith, J. Vac. Sci. Technol. A6 (1988) 210.
10. C.-S. Zhang, B.J. Flinn, I.V. Mitchell, P.R. Norton, Surf. Sci. 245 (1991) 373.
11. B.J. Flinn, C.-S. Zhang, P.R. Norton, Phys. Rev. B 47 (1993) 16499.
12. P.C. Wong, K.C. Hui, M.Y. Zhou, K.A.R. Mitchell, Solid State Commun. 62 (1987) 293.
13. P.C. Wong, K.A.R. Mitchell, Surf. Sci. 187 (1987) L599.
14. C.-S. Zhang, B. Li, P.R. Norton, Surf. Sci. 313 (1994) 308.
15. Y.M. Wang, Y.S. Li, K.A.R. Mitchell, Surf. Sci. 342 (1995) 272.
16. Y.M. Wang, Y.S. Li, K.A.R. Mitchell, Surf. Sci. 343 (1995) L1167.
17. P.C. Wong, J.R. Lou, K.A.R. Mitchell, Surf. Sci. 206 (1988) L913.
18. M. Yamamoto, C.T. Chan, K.M. Ho, S. Naito, Phys. Rev. B 54 (1996) 14111.
19. L. Hedin, B.I. Lundqvist, J. Phys. C 4 (1971) 2064.
20. C. Elsässer, N. Takeuchi, K.M. Ho, C.T. Chan, P. Braun, M. Fähnle, J. Phys.: Condens. Matter 2 (1990) 4371.
21. M. Yamamoto, C.T. Chan, K.M. Ho, Phys. Rev. B 50 (1994) 7932.
22. K.M. Ho, C. Elsässer, C.T. Chan. M. Fähnle, J. Phys.: Condens. Matter 4 (1992) 5189.
23. C.T. Chan, K.P. Bohnen, K.M. Ho, Phys. Rev. B 47 (1993) 4771.
24. L.E. Toth, Transition Metal Carbides and Nitrides, Academic Press, New York, 1971.
25. E. Fromm, E. Gebhardt, Gase und Kohlenstoff in Metallen, Springer, Berlin, 1976.
26. A.N. Christensen, O.W. Dietrich, W. Kress, W.D. Teuchert, Phys. Rev. B 19 (1979) 5699.
27. I. Toyoshima, G.A. Somorjai, Catal. Rev. 19 (1979) 105.
28. W.T. Moore, P.R. Watson, D.C. Frost, K.A.R. Mitchell, J. Phys. C 12 (1979) L887.
29. C. Kittel, Introduction to Solid State Physics, Wiley, New York, 1996.
30. M. Yamamoto, unpublished results, 1996.
31. P. Nordlander, S. Holloway, J.K. Nørskov, Surf. Sci. 136 (1984) 59.
32. M. Yamamoto. S. Naito, M. Mabuchi, T. Hashino, J. Phys. Chem. 96 (1992) 3409.
33. J.S. Foord, P.J. Goddard, R.M. Lambert, Surf. Sci. 94 (1980) 339.
34. K. Schwarz, H. Ripplinger, A. Neckel, Z. Phys. B: Condens. Matter 48 (1982) 79.
35. M. Kurahashi, M. Yamamoto, M. Mabuchi, S. Naito, J. Vac. Sci. Technol. A, in press.
36. P.J. Feibelman, D.R. Hamann, Phys. Rev. B 21 (1980) 1385.
37. P.J. Feibelman, J.A. Appelbaum, D.R. Hamann, Phys. Rev. B 20 (1979) 1433.