Favorable silica monolayer structures on the Mo(112) surface

Surface Review and Letters

Volumn 12, Issue 3, 2005, Pages 449-456

  Yakovkin, I N ^a  

^a INSTITUTE OF PHYSICS   (Ukraine)

Author keywords

DFT; Low index transition metal surfaces; Molybdenum; Silica adsorbed layers; Simulations

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; ENERGY CONSERVATION; FREQUENCIES; MOLYBDENUM; PHONONS; SILICA; SURFACE PHENOMENA;

DFT; LOW-INDEX TRANSITION METAL SURFACE; SILICA ABSORBED LAYERS; SILICA STRUCTURE;

MONOLAYERS;

EID: 24044545491     PISSN: 0218625X     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0218625X05007281     Document Type: Article

References (45)

1. D. W. Goodman, Surf. Rev. Lett. 2 (1995) 9.
2. C. T. Campbell, Surf. Sci. Rep. 27 (1997) 1.
3. H.-J. Freund, Surf. Sci. 500 (2002) 271.
4. A. Laschitsch and D. Johannsmann, J. Appl. Phys. 85 (1999) 3759;
5. G. S. Siu, X. L. Wu and X. M. Bao, Appl. Phys. Lett. 74 (1999) 1812;
6. Z. Liu, H. Li, X. Feng, S. Ren and H. Wang, J. Appl. Phys. 84 (1998) 1913.
7. J. B. Giorgi, T. Schroeder, M. Bäumer and H.-J. Freund, Surf. Sci. 498 (2002) L71.
8. A. K. Santra, B. K. Min and D. W. Goodman, Surf. Sci. 515 (2002) L475.
9. X. Xu, S. M. Vesecky and D. W. Goodman, Science 258 (1992) 788.
10. M. S. Chen and D. W. Goodman, Science, 306 (2004) 252.
11. X. Xu and D. W. Goodman, Surf. Sci. 282 (1993) 323;
12. J.-W. He, X. Xu, J. S. Corneille and D. W. Goodman, Surf. Sci. 279 (1992) 119.
13. T. Schroeder, M. Adelt, B. Richter, M. Naschitzki, M. Bäumer and H.-J. Freund, Surf. Rev. Lett. 7 (2000) 7.
14. T. Schroeder, J. B. Giorgi, M. Bäumer and H.-J. Freund, Phys. Rev. B66 (2002) 165422.
15. M. S. Chen, A. K. Santra and D. W. Goodman, Phys. Rev. B69 (2004) 155404.
16. T. McAvoy, J. Zhang, C. Waldfried, D. N. McIlroy, P. A. Dowben, O. Zeybek, T. Bertrams and S. D. Barrett, Eyr. Phys. J. B14 (2000) 747.
17. T. Schroeder, J. B. Giorgi, A. Hammoudeh, N. Magg, M. Bäumer and H.-J. Freund, Phys. Rev. B65 (2002) 115411;
18. T. Schroeder, J. Zegenhagen, N. Magg, B. Immaraporn and H.-J. Freund, Surf. Sci. 552 (2004) 85.
19. D. Ricci and G. Pacchioni, Phys. Rev. B69 (2004) 161307(R).
20. A. Kiejna and R. M. Nieminen, J. Chem. Phys. 122 (2005) 044712.
21. I. N. Yakovkin, Surf. Sci. 577/2-3 (2005) 229.
22. M. Bockstedte, A. Kley, J. Neugebauer and M. Schemer, Comput. Phys. Commun. 107 (1997) 187.
23. N. Troullier and J. L. Martins, Phys. Rev. B43 (1991) 1993.
24. M. Fuchs and M. Scheffler, Comp. Phys. Commun. 119 (1999) 67.
25. J. P. Perdew and Y. Wang, Phys. Rev. B45 (1992) 13244.
26. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 48 (1980) 567.
27. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48 (1982) 1425.
28. I. N. Yakovkin, Eur. Phys. J. B44 (2005) 551.
29. I. N. Yakovkin and M. Gutowski, Phys. Rev. B70 (2004) 165319.
30. J. Neugebauer and M. Scheffler, Phys. Rev. B46 (1992) 16067;
31. L. Bengtsson, Phys. Rev. B59 (1999) 12301.
32. D. Kolthoff, H. Pfnur, A. G. Fedoras, V. Koval and A. G. Naumovets, Surf. Sci. 439 (1999) 224.
33. A. Kiejna and R. M. Nieminen, Phys. Rev. B66 (2002) 085407;
34. Phys. Rev. B69 (2004) 235424.
35. H. J. Monkhorst and J. D. Pack, Phys. Rev. B13 (1976) 5188.
36. O. Jepsen, J. Madsen and O. K. Andersen, Phys. Rev. B18 (1978) 605;
37. O. Jepsen and O. K. Andersen, Solid State Commun. 9 (1971) 1763.
38. D. J. Chadi and M. L. Cohen, Phys. Rev. B8 (1973) 5744.
39. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis and J. A. Montgomery, J. Comput. Chem. 14 (1993) 1347.
40. G. A. Katrich, V. V. Klimov and I. N. Yakovkin, J. Elec. Spectrosc. Rel. Phenom. 68 (1994) 369;
41. J. Zhang, D. N. McIlroy and P. A. Dowben, Phys. Rev. B49 (1994) 13780;
42. ibid. B52 (1995) 11380;
43. P. A. Dowben, Surf. Sci. Rep. 40 (2000) 151;
44. I. N. Yakovkin, J. Nanosci. Nanotechnol. 1 (2001) 357.
45. H.-K. Jeong, T. Komesu, I. N. Yakovkin and P. A. Dowben, Surf. Sci. 494 (2001) L773.