Atomic forces and electronic properties of Pd(001) and Rh(001) thin films

Philosophical Magazine Letters

Volumn 73, Issue 6, 1996, Pages 385-394

  Batirev, I G ^a   Leiro, J A ^b   Oguchi, Tamio ^c  

^a TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESIS   (Russian Federation)

^b UNIVERSITY OF TURKU   (Finland)

^c HIROSHIMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMIC PHYSICS; ATOMS; ELECTRONIC PROPERTIES; MATHEMATICAL MODELS; PALLADIUM; RHODIUM; SURFACE STRUCTURE; X RAY PHOTOELECTRON SPECTROSCOPY;

ATOMIC FORCES; CAR-PARRINELLO MODEL; FULL POTENTIAL LINEAR AUGMENTED PLANE WAVE METHOD; LOCAL DENSITY FUNCTIONAL APPROXIMATION; SURFACE INTERLAYER SPACING; X RAY PHOTOEMISSION EXPERIMENTS;

THIN FILMS;

EID: 0030170592     PISSN: 09500839     EISSN: 13623036     Source Type: Journal    
DOI: 10.1080/095008396180669     Document Type: Article

References (26)

1. Begley, A. M., Kim, S. K., Jona, F., and Marcus, P. M., 1993, Phys. Rev. B, 48, 1236.
2. Blochl, P. E., Jepsen O., and Andersen, O. K., 1994, Phys. Rev. B, 49, 16223.
3. Borg, A., Berg, C., Raaen, S., and Venvik, H.J., 1994, J.Phys.: condens. Matter, 6, L7.
4. Car, R., and Parrinello, M., 1985, Phys. Rev. Lett., 55, 2471.
5. Eichler, A., Hafner, J., Furthmüller, J., and Kresse, G., 1996, Surf. Sci., 346, 300.
6. Feibelman, P. J., and Hamann, D. R., 1990, Surf. Sci., 234, 377.
7. Gay, J. G., Smith, J. R., and Arlinghaus, F. J., 1982, Phys. Rev. B, 25, 643.
8. Hedin, L., and Lündquist, S., 1971, J. Phys. C, 4, 2064.
9. Hengrasmee, S., Mitchell, k. A. R., Watson, P. R., and White, S. J., 1980, J. Phys., Paris, 58, 200.
10. Hergert, W., Rennert, P., Demangeat, C., and Dreysse, H., 1992 Surf. Sci., 269-270, 648.
11. Methfessel, M., Henning, D., and Scheffler, M., 1992, Phys. Rev. B, 46, 4816.
12. Methfessel, M., Henning, D., and Scheffler, M., 1993, Surf. Sci, 287-288, 785.
13. Morrison, I., Bylander, D. M., and Kleiman, L., 1993, Phys. Rev. Lett., 71, 1083.
14. Moruzzi, V. L., Janak, J. F., and Williams, A. R., 1978, Calculated Electronic Properties of Metals (Oxford: Pergamon).
15. Nyholm, r., Qvarford, M., Andersen, j. N., Sorensen, S.L., and Wigren, C., 1992, J. Phys.:condens. Matter, 4, 277.
16. Oed, W., DOtsch, B., Hammer, L., Heinz, K., and Müller, K., 1988, Surf. Sci, 207, 55.
17. Oguchi, T., 1993, Interatomic potentials and structural stability, Springer Series in Solid-State Sciences, Vol. 114, edited by K. Terakura and H. Akai, (Berlin: Springer), 33.
18. Pearson, W. B., 1958, Handbook of Lattice Spacings and Structures of Metals and Alloys (oxford: Pergamon).
19. Pettifor, D. G., 1978, J.Phys, F, 8, 218.
20. Pulay, P., 1969, Mol. Phys. 17, 197.
21. Quinn, J., Li, Y. S., Tian, D., Li, H., and Jona, F., 1990, Phys. Rev. B, 42, 11 348.
22. Soler, J. M., and Williams, A. R., 1989 Phys. Rev. B, 40, 1560.
23. Teter, M. P., Payne, M.C., and Allan, D.C., 1989, Phys. Rev. B, 40, 12255.
24. Weinert, M., 1981, J. Math. Phys, 22, 2433.
25. Weinert, M., Blügel, S., and Johnson, P. D., 1993, Phys. Rev. Lett., 71, 4097.
26. Wu, S. C., Garrison, K., Begley, A. M., Jona, F., and Johnson, P D., 1994, Phys. Rev. B, 49, 14081.