Surface segregation profile for Ni50Pd50(100)

Surface Science

Volumn 383, Issue 2-3, 1997, Pages 235-240

  Christensen, A ^a   Ruban, A V ^a   Skriver, H L ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Construction and use of effective interatomic interactions; Density functional calculations; Equilibrium thermodynamics and statistical mechanics; Green's function methods; Molecular dynamics; Semi empirical models and model calculations

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; GREEN'S FUNCTION; LOW ENERGY ELECTRON DIFFRACTION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SEGREGATION (METALLOGRAPHY); STATISTICAL MECHANICS; SURFACE PHENOMENA;

SURFACE SEGREGATION;

NICKEL ALLOYS;

EID: 0031185858     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00177-5     Document Type: Article

References (18)

1. G.N. Derry, C.B. McVey, P.J. Rous, Surf. Sci. 326 (1995) 59.
2. J.W.D. Connolly, A.R. Williams, Phys. Rev, B 27 (1983) 5169.
3. A.V. Ruban, I.A. Abrikosov, D.Ya. Kats, D. Gorelikov, K.W. Jacobsen, H.L. Skriver, Phys. Rev. B 49 (1994) 11383.
4. I.A. Abrikosov, A.V. Ruban, H.L. Skriver, B. Johansson, Phys. Rev. B 50 (1994) 2039.
5. O.K. Andersen, O. Jepsen, D. Glötzel in: F. Bassani, F. Fumi, M.P. Tosi (Eds.), Highlights of Condensed Matter Theory, North-Holland, New York, 1985, p. 59.
6. O. Gunnarsson, O. Jepsen, O.K. Andersen, Phys. Rev. B 27 (1983) 7144.
7. O.K. Andersen, Z. Pawlowska, O. Jepsen, Phys. Rev. B 34 (1986) 5253.
8. H.L. Skriver, N.M. Rosengaard, Phys. Rev. B 43 (1991) 9538.
9. A.I. Abrikosov, H.L. Skriver, Phys. Rev. B 47 (1993) 16532.
10. A.V. Ruban, I.A. Abrikosov, H.L. Skriver, Phys. Rev. B 51 (1995) 12958.
11. S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58 (1980) 1200.
12. Z.W. Lu, S.-H. Wei, A. Zunger, S. Frota-Pessoa, L.G. Ferreira, Phys. Rev. B 44 (1991) 512.
13. V. Kumar, K.H. Bennemann, Phys. Rev. Lett. 53 (1984) 278.
14. J. Tersoff, Phys. Rev. B 42 (1990) 10965.
15. L.R. Bidwell, R. Speiser, Acta Metall. 13 (1965) 61.
16. K.W. Jacobsen, P. Stoltze, J.K. Norskov, Surf. Sci. 366 (1996) 394.
17. P. Stoltze, J. Phys.: Condens. Matter 6 (1994) 9495.
18. N. Metropolis, A.W. Metropolis, M.N. Rosenbluth, A.H. Teller, E. Teller, J. Chem. Phys. 21 (1953) 1087.