A semi-empirical effective medium theory for metals and alloys

Surface Science

Volumn 366, Issue 2, 1996, Pages 394-402

  Jacobsen, K W ^a   Stoltze, P ^a   Norskov J K ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Construction and use of effective interatomic interactions; Metal metal nonmagnetic heterostructures; Single crystal epitaxy

Indexed keywords

COPPER; ELECTRON SCATTERING; EPITAXIAL GROWTH; GOLD; HETEROJUNCTIONS; NICKEL; PALLADIUM; PLATINUM; SILVER; SINGLE CRYSTALS;

EFFECTIVE MEDIUM THEORY; METAL METAL NONMAGNETIC HETEROSTRUCTURES;

SURFACES;

EID: 0030257432     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00816-3     Document Type: Article

References (33)

1. J.K. Nørskov and N.D. Lang, Phys. Rev. B 21 (1980) 2131.
2. M.J. Stott and E. Zaremba, Phys. Rev. B 22 (1980) 1564.
3. K.W. Jacobsen, J.K. Nørskov and M. Puska, Phys. Rev. B 35 (1987) 7423; K.W. Jacobsen, Comments Condens. Matter Phys. 14 (1988) 129.
4. K.W. Jacobsen, J.K. Nørskov and M. Puska, Phys. Rev. B 35 (1987) 7423; K.W. Jacobsen, Comments Condens. Matter Phys. 14 (1988) 129.
5. H. Häkkinen and M. Manninen, J. Phys.: Condens. Matter 1 (1989) 9765.
6. M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1983) 1285; S.M. Foiles, M.I. Baskes and M.S. Daw, Phys. Rev. B 33 (1986) 7983; RA. Johnson, Phys. Rev. B 39 (1989) 12554.
7. M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1983) 1285; S.M. Foiles, M.I. Baskes and M.S. Daw, Phys. Rev. B 33 (1986) 7983; RA. Johnson, Phys. Rev. B 39 (1989) 12554.
8. M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1983) 1285; S.M. Foiles, M.I. Baskes and M.S. Daw, Phys. Rev. B 33 (1986) 7983; RA. Johnson, Phys. Rev. B 39 (1989) 12554.
9. M.W. Finnis and J.E. Sinclair, Philos. Mag. A 50 (1984) 45.
10. F. Ercolessi, E. Tosatti and M. Parinello, Phys. Rev. Lett. 57 (1986) 719.
11. S.B. Sinnott, M.S. Stave, T.J. Raeker and A.E. DePristo, Phys. Rev. B 44 (1991) 8927.
12. N. Chetty, K. Stokbro, K.W. Jacobsen and J.K, Nørskov, Phys. Rev. B 46 (1992) 3798.
13. N. Chetty, K.W. Jacobsen and J.K. Norskov, J. Phys. C 3 (1991) 5437.
14. J.H. Rose, J. Ferrante and J.R. Smith, Phys. Rev. Lett. 47 (1981) 675.
15. On overview with detailed references can be found in F.R. de Boer, R. Boom, W.C.M. Mattens, A,R. Miedema and A.K. Niessen, Cohesion in Metals (North-Holland, Amsterdam, 1988).
16. P. Stoltze, J. Phys.: Condens. Matter 6 (1994) 9495.
17. B. Chakraborty, Z.G. Xi, K.W. Jacobsen and J.K. Nørskov, J. Phys.: Condens. Matter 4 (1992) 7191.
18. P. Stoltze, J.K. Nørskov and U. Landman, Phys. Rev. Lett. 61 (1988) 440.
19. H. Häkkinen and M. Manninen, Phys. Rev. B 46 (1992) 1725.
20. J. Jacobsen, K.W. Jacobsen and J.K. Nørskov, Phys. Rev. Lett. 74 (1995) 2295.
21. L. Pleth Nielsen, F. Besenbacher, I. Stensgaard, E. Lægsgaard, C. Engdahl, P. Stoltze, K.W. Jacobsen and J.K. Nørskov, Phys. Rev. Lett. 71 (1993) 754; C Engdahl, P. Stoltze, K.W. Jacobsen, J.K. Nørskov, H.L. Skriver and M. Aldén, J. Vac. Sci. Technol. A 12 (1994) 1787.
22. L. Pleth Nielsen, F. Besenbacher, I. Stensgaard, E. Lægsgaard, C. Engdahl, P. Stoltze, K.W. Jacobsen and J.K. Nørskov, Phys. Rev. Lett. 71 (1993) 754; C Engdahl, P. Stoltze, K.W. Jacobsen, J.K. Nørskov, H.L. Skriver and M. Aldén, J. Vac. Sci. Technol. A 12 (1994) 1787.
23. J. Emsley, The Elements (Clarendon, Oxford, 1991).
24. F.R. de Boer, R. Boom, W.C.M. Mattens, A.R. Miedema and A.K. Niessen, Cohesion in Metals (North-Holland, Amsterdam, 1988); H. Skriver and N. Rosengaard, Phys. Rev. B 46 (1992) 7157.
25. F.R. de Boer, R. Boom, W.C.M. Mattens, A.R. Miedema and A.K. Niessen, Cohesion in Metals (North-Holland, Amsterdam, 1988); H. Skriver and N. Rosengaard, Phys. Rev. B 46 (1992) 7157.
26. For a review, see K. Heinz, Surf. Sci. 299/300 (1994) 433.
27. F.M. Francis and N. Richardson, Phys. Rev. B 33 (1986) 662.
28. K.M. Ho and K.P. Bohnen, Europhys. Lett. 4 (1987) 345.
29. J. Jacobsen, L.P. Nielsen, F. Besenbacher, I. Stensgaard, E. Lægsgaard, T. Rasmussen, K.W. Jacobsen and J.K. Nørskov, Phys. Rev. Lett. 75 (1995) 489.
30. G.O. Pötschke and R.J. Behm, Phys. Rev. B 44 (1991) 1442.
31. H. Brune, H. Röder, C. Bogano and K. Kern, Phys. Rev. B 49 (1994) 2997.
32. P. Sprunger and F. Besenbacher, private communication.
33. The present parametrization differs from earlier EMT versions by relying more on experimental input.