Structure and atomic interactions at the Co Pd(001) interface: Surface x-ray diffraction and atomic-scale simulations

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 11, 2005, Pages

  Meyerheim, H L ^a   Stepanyuk, V ^a   Klavsyuk, A L ^a   Soyka, E ^a   Kirschner, J ^a  

^a MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29744442068     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.113403     Document Type: Article

References (34)

1. J. Thomassen, F. May, B. Feldmann, M. Wuttig, and H. Ibach, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.3831 69, 3831 (1991).
2. D. Li, M. Freitag, J. Pearson, Z. Q. Qiu, and S. D. Bader, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.3112 72, 3112 (1994).
3. D. Qian, X. F. Jin, J. Barthel, M. Klaua, and J. Kirschner, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.227204 87, 227204 (2001).
4. J. Tersoff, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.434 74, 434 (1995)
5. M. Wuttig, Y. Gauthier, and S. Blügel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.70.3619 70, 3619 (1992).
6. L. Pleth, I. Stensgaard, E. Laegsgaard, and F. Besenbacher, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(94)90451-0 307, 544 (1994).
7. B. Predel, Phase Equilibria, Crystallographic and Thermodynamic Data of Binary Alloys, Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series, Group IV: Macroscopic Properties of Matter, Vol. 5 (Springer, Berlin, 1993).
8. P. F. Carcia, A. D. Meinhalt, and A. Suna, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.96254 47, 178 (1985).
9. H. Giordano, A. Atrei, M. Torrini, and U. Bardi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11762 54, 11762 (1996)
10. S.-K. Kim and S.-C. Shin, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1342800 89, 3055 (2001)
11. J. T. Kohlepp, G. J. Strijkers, H. Wieldraaijer, and W. J. M. de Jonge, Phys. Status Solidi A PSSABA 0031-8965 10.1002/1521-396X(200202)189:3<701:: AID-PSSA701>3.0.CO;2-Z 189, 701 (2002)
12. J. Shen, Z. Gai, and J. Kirschner, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/j.surfrep.2003.10.001 52, 163 (2004).
13. H.-U. Krebs, Int. J. Non-Equilib. Process. IJNPFU 1368-9290 10, 3 (1997)
14. H. Jenniches, J. Shen, C. V. Mohan, S. S. Monoharan, J. Barthel, P. Ohresser, M. Klaua, and J. Kirschner, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.117299 69, 3339 (1996).
15. J. Shen, H. Jenniches, C. V. Mohan, J. Barthel, M. Klaua, P. Ohresser, and J. Kirschner, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i1998-00364-5 43, 349 (1998).
16. H. Jenniches, J. Shen, C. V. Mohan, S. S. Monoharan, J. Barthel, P. Ohresser, M. Klaua, and J. Kirschner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1196 59, 1196 (1999).
17. M. Weinelt, S. Schwarz, H. Baier, S. Müller, L. Hammer, K. Heinz, and Th. Fauster, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.205413 63, 205413 (2001)
18. M. Bloch, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/ S0021889885009724 18, 33 (1985)
19. R. Feidenhans'l, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/0167-5729(89) 90002-2 10, 105 (1989)
20. I. K. Robinson and D. J. Tweet, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/55/5/002 55, 599 (1992)
21. I. K. Robinson Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.3830 33, 3830 (1986)
22. We use the primitive surface (s) setting of the unit cell, which is related to the face centered setting of the bulk (b) by the following relations: [100]s=1 2×([100]b-[010]b), [010]s=1 2×([100]b+[010]b), and [001]s=[001]b
23. E. Vlieg, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/ S0021889897002537 30, 532 (1997)
24. Ru is defined as Ru= Fobs - Fcalc Fobs, where Fobs and Fcalc are the observed and calculated structure factors, respectively, and the summation runs over all datapoints; for the definition of the GOF see Refs.
25. C. Boeglin, H. Bulou, J. Hommet, X. Le Cann, H. Magnan, P. Le Fèvre, and D. Chandesris, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.4220 60, 4220 (1999)
26. S.-K. Lee, J.-S. Kim, B. Kim, Y. Cha, W. K. Han, H. G. Min, J. Seo, and S. C. Hong, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.014423 65, 014423 (2001)
27. H. L. Meyerheim (unpublished).
28. J. Burchhardt, E. Lundgren, M. M. Nielsen, J. N. Andersen, and D. L. Adams, Surf. Rev. Lett. SRLEFH 0218-625X 10.1142/S0218625X96002333 3, 1339 (1996)
29. S. H. Kim, H. L. Meyerheim, J. Barthel, J. Kirschner, J. Seo, and J. S. Kim, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.205418 71, 205418 (2005)
30. N. A. Levanov, V. S. Stepanyuk, W. Hergert, D. I. Bazhanov, P. H. Dederichs, A. A. Katsnelson, and C. Massobrio, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.2230 61, 2230 (2000).
31. V. S. Stepanyuk, A. L. Klavsyuk, L. Niebergall, A. M. Saletsky, W. Hergert, and P. Bruno, Phase Transitions PHTRDP 0141-1594 78, 61 (2005).
32. K. Wildberger, V. S. Stepanyuk, P. Lang, R. Zeller, and P. H. Dederichs, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.509 75, 509 (1995).
33. The potentials are used in the form of Ref.. The parameters are the following for Co-Co: A1=0.0eV, A0=0.1275eV, ξ=1.5105eV, p=12.0136, q=1.9661, r0=2.4042Å; for Co-Pd: A1=-0.7686eV, A0=-0.091eV, ξ=0.7932eV, p=8.439, q=3.696, r0=2.7948Å, for Pd-Pd: the same as in V. Rosato, Philos. Mag. A PMAADG 0141-8610 59, 321 (1989).
34. T. Hoshino, W. Schweika, R. Zeller, and P. H. Dederichs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.5106 47, 5106 (1993)