Electronic structure and energetics of transition metal surfaces and clusters from a new spd tight-binding method

Surface Science

Volumn 433, Issue , 1999, Pages 751-755

  Barreteau, C ^a   Spanjaard, D ^b   Desjonqueres M C ^a  

^a CEA SACLAY   (France)

^b UNIVERSITÉ PARIS SUD   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; MATHEMATICAL MODELS; NUMERICAL METHODS; PALLADIUM; RHODIUM; SURFACES;

ATOMIC ORBITALS; CLUSTERS; ORTHOGONAL BASIS; TIGHT BINDING METHOD; VALENCE BAND;

TRANSITION METALS;

EID: 0033321072     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)00490-2     Document Type: Article

References (10)

1. K.W. Jacobsen, J.K. Nørskov, M.J. Puska, Phys. Rev. B 35 (1987) 7423.
2. A.E. Carlsson, Solid State Phys. 43 (1989) l and references therein.
3. C.M. Goringe, D.R. Bowler, E. Hernandez, Rep. Prog. Phys. 60 (1997) 1447.
4. M.J. Mehl, D.A. Papaconstantopoulos, Phys. Rev. B 54 (1996) 4519.
5. C. Barreteau, D. Spanjaard, M.C. Desjonquères, Phys. Rev. B 58 (1998) 9721.
6. J.C. Slater, G.F. Koster, Phys. Rev. 94 (1954) 1498.
7. W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, in: Numerical Recipes in Fortran, Cambridge University Press, Cambridge, 1992, p. 678.
8. A. Eichler, J. Hafner, J. Furthmüller, G. Kresse, Surf. Sci. 346 (1996) 300.
9. M. Methfessel, D. Hennig, M. Scheffler, Phys. Rev. B 46 (1992) 4816.
10. Y. Jinlong, F. Toigo, W. Kelin, Phys. Rev. B 50 (1994) 7915.