Density-functional study of the CO adsorption on ferromagnetic Co(0 0 0 1) and Co(1 1 1) surfaces

Surface Science

Volumn 601, Issue 23, 2007, Pages 5571-5575

  Pick, Štěpán ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

Carbon monoxide; Chemisorption; Cobalt; Density functional calculations; Magnetic films

Indexed keywords

ADSORPTION; ANTIFERROMAGNETIC MATERIALS; ATOMS; CHEMISORPTION; COBALT; COMPUTATIONAL GEOMETRY; DENSITY FUNCTIONAL THEORY; FERROMAGNETIC MATERIALS; MAGNETIC FILMS; MAGNETIC MOMENTS; STRETCHING;

ADSORPTION ENERGY; FERROMAGNETIC SURFACES;

CARBON MONOXIDE;

EID: 36249005499     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.09.027     Document Type: Article

References (42)

1. Feibelman P.J., Hammer B., Nørskov J.K., Wagner F., Scheffler M., Stumpf R., Watwe R., and Dumesic J. J. Phys. Chem. B 105 (2001) 4018
2. Gajdoš M., Eichler A., and Hafner J. J. Phys.: Condens. Matter 16 (2004) 1141
3. Kresse G., Gill A., and Sautet P. Phys. Rev. B 68 (2003) 073401
4. Mason S.E., Grinberg I., and Rappe A.M. Phys. Rev. B 69 (2004) 161401R
5. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
6. Rappe A.M., Rabe K.M., Kaxiras E., and Joannopoulos J.D. Phys. Rev. B 41 (1990) 1227R
7. Abild-Pedersen F., and Andersson M.P. Surf. Sci. 601 (2007) 1747
8. Hammer B., Hansen L.B., and Nørskov J.K. Phys. Rev. B 46 (1999) 7413
9. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
10. Nayak S.K., Nooijen M., Bernasek S.L., and Blaha P. J. Phys. Chem. B 105 (2001) 164
11. Spišák D., and Hafner J. Phys. Rev. B 64 (2001) 094418
12. Pacchioni G., and Rösch N. Acc. Chem. Res. 28 (1995) 390
13. Ge Q., Jenkins S.J., and King D.A. Chem. Phys. Lett. 327 (2000) 125
14. Favot F., Dal Corso A., and Baldereschi A. Phys. Rev. B 63 (2001) 115416
15. Karmazyn A.D., Fiorin V., Jenkins S.J., and King D.A. Surf. Sci. 538 (2003) 171
16. Shah V., Li T., Baumert K.L., Cheng H., and Sholl D.S. Surf. Sci. 537 (2003) 217
17. Papp H. Surf. Sci. 129 (1983) 205
18. Lahtinen J., Vaari J., Kauraala K., Soares E.A., and Van Hove M.A. Surf. Sci. 448 (2000) 269
19. Cabeza G.F., Légaré P., and Castellani N.J. Surf. Sci. 465 (2000) 286
20. Lahtinen J., Kauraala K., Vaari J., Vaara T., Kaukasoina P., and Lindroos M. Phys. Rev. B 63 (2001) 155402
21. Greuter F., Heskett D., Plummer E.W., and Freund H.-J. Phys. Rev. B 27 (1983) 7117
22. Hope S., Gu E., Choi B., and Bland J.A.C. Phys. Rev. Lett. 80 (1998) 1750
23. Matsumura D., Yokoyama T., Amemiya K., Kitagawa S., and Ohta T. Phys. Rev. B 66 (2002) 024402
24. Matsumura D., Amemiya K., Kitagawa S., Shimada T., Abe H., Ohta T., Watanabe H., and Yokoyama T. Phys. Rev. B 73 (2006) 174423
25. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
26. Go X.-Q., Raval R., and Hu P. Surf. Sci. 562 (2004) 247
27. Ge Q., and Neurock M. J. Phys. Chem. B 110 (2006) 15368
28. Pick S., and Dreyssé H. Phys. Rev. B 59 (1999) 4195
29. See .
30. Ultrasoft Pseudopotential Generation Code and Library. Available at .
31. L.B. Hansen, Co pseudopotential in the DACAPO library [29], (2002).
32. B. Meyer, C and O pseudopotentials in the library of Ref. [30], (2002).
33. Beitel G.A., Laskov A., Oosterbeek H., and Kuipers W.W. J. Phys. Chem. 100 (1996) 12494
34. Lahtinen J., Vaari J., Vaara T., Kauraala K., Kaukasoina P., and Lindroos M. Surf. Sci. 225 (1999) 90
35. Albano V., Chini P., and Scatturin V. J. Organometal. Chem. 15 (1968) 423
36. Albano V.G., Bellon P.L., Chini P., and Scatturin V. J. Organometal. Chem. 16 (1969) 461
37. Michaelson H.B. J. Appl. Phys. 48 (1977) 4729
38. Geng W.T., Freeman A.J., and Wu R.Q. Phys. Rev. B 63 (2001) 064427
39. Pick S., and Dreyssé H. Surf. Sci. 474 (2001) 64
40. Jenkins S.J. Surf. Sci. 600 (2006) 1431
41. Pick S., Légaré P., and Demangeat C. Phys. Rev. B 75 (2007) 195446
42. Pick S., and Dreyssé H. Surf. Sci. 460 (2000) 153