Surface-embedded Green function calculation using non-local pseudopotentials

Surface Science

Volumn 388, Issue 1-3, 1997, Pages 71-83

  Ishida, H ^a  

^a NIHON UNIVERSITY   (Japan)

Author keywords

Alkali metals; Chemisorption; Computer simulations; Density functional calculations; Green's function method; Surface electronic phenomena

Indexed keywords

ALKALI METALS; CHEMISORPTION; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL ORIENTATION; ELECTRONIC STRUCTURE; GREEN'S FUNCTION; SUBSTRATES; SURFACE PHENOMENA; SURFACE STRUCTURE;

DENSITY FUNCTIONAL THEORY (DFT); PSEUDOPOTENTIALS;

ALUMINUM;

EID: 0031244898     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00376-2     Document Type: Article

References (26)

1. J.E. Inglesfield, J. Phys. C: 14 (1981) 3795.
2. J.E. Inglesfield, G.A. Benesh, Phys. Rev. B 37 (1988) 6682.
3. R. Car, M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471.
4. P. Krüger, J. Pollmann, Phys. Rev. B 38 (1988) 10578.
5. H.L. Skriver, N.M. Rosengaard, Phys. Rev. B 43 (1991) 9538.
6. J.M. MacLaren, S. Crampin, D.D. Vvedensky, J. Pendry, Phys. Rev. B 40 (1989) 12164.
7. J.E. Inglesfield, Surf. Sci. 76 (1978) 355.
8. K. Kambe, Z. Naturforsch. Teil A: 22 (1967) 332; Z. Naturforsch. Teil A: 22 (1967) 422; Z. Naturforsch. Teil A: 23 (1967) 1280.
9. K. Kambe, Z. Naturforsch. Teil A: 22 (1967) 332; Z. Naturforsch. Teil A: 22 (1967) 422; Z. Naturforsch. Teil A: 23 (1967) 1280.
10. K. Kambe, Z. Naturforsch. Teil A: 22 (1967) 332; Z. Naturforsch. Teil A: 22 (1967) 422; Z. Naturforsch. Teil A: 23 (1967) 1280.
11. G.B. Bachlet, D.R. Hamann, M. Schlüter, Phys. Rev. B 26 (1982) 4199.
12. D.R. Hamann, Phys. Rev. B 40 (1989) 2989.
13. L. Kleinman, D.M. Bylander, Phys. Rev. Lett. 48 (1982) 1425.
14. N. Troullier, J.L. Martin, Phys. Rev. B 43 (1991) 1993.
15. D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
16. S. Crampin, J.B.A.N. van Hoof, M. Nekovee, J.E. Inglesfield, J. Phys.: Condens. Matter 4 (1992) 1475.
17. H. Ishida, Phys. Rev. B 42 (1990) 10899.
18. M.P. Teter, M.C. Payne, D.C. Allan, Phys. Rev. B 40 (1989) 12255.
19. S. Blügel, Thesis, RWTH Aachen, 1987.
20. M. Nekovee, S. Crampin, J.E. Inglesfield, Phys. Rev. Lett. 70 (1993) 3099.
21. G.A. Benesh, L.S.G. Liyanage, Phys. Rev. B 49 (1994) 17264.
22. R.M. Eastment, C.H.M. Mee, J. Phys. F 3 (1973) 1738.
23. J.K. Grepstad, P.O. Gartland, B.J. Slagsvold, Surf. Sci. 57 (1976) 363.
24. C. Stampfl, M. Scheffler, H. Over, J. Burchhardt, N. Nielsen, D.L. Adams, W. Moritz, Phys. Rev. B 49 (1994) 4959.
25. J. Neugebauer, M. Scheffler, Phys. Rev. Lett. 71 (1993) 577.
26. S.G. Louie, S. Froyen, M.L. Cohen, Phys. Rev. B 26 (1982) 1738.