A first-principles study of oxygen adsorption and interaction with Al adatoms on Al(110)

Surface Science

Volumn 605, Issue 15-16, 2011, Pages 1391-1396

  Tiwary, Yogesh ^a   Fichthorn, Kristen A ^a,b  

^a The Pennsylvania State University   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Aluminum; Atom solid interactions; Chemisorption; Density functional calculations; Growth

Indexed keywords

ADATOMS; ALUMINUM; ATOMS; BINDING SITES; CALCULATIONS; CHEMISORPTION; GAS ADSORPTION; GROWTH (MATERIALS); OXYGEN;

AL THIN FILMS; ATOM-SOLID INTERACTION; ATOMIC INTERACTIONS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; OXYGEN ADSORPTION; OXYGEN IMPURITY;

DENSITY FUNCTIONAL THEORY;

EID: 79959833365     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.04.038     Document Type: Article

References (58)

1. V.E. Henrich, and P.A. Cox The Surface Science of Metal Oxides 1993 Cambridge University Press Cambridge
2. A.T. Fromhold Theory of Metal Oxidation 1976 Vols I and II, North-Holland, Amsterdam
3. F. Besenbacher, and J.K. Nørskov Prog. Surf. Sci. 44 1993
4. E. Kopatzki, S. Guenther, W. Nichtl-Pecher, and R.J. Behm Surf. Sci. 284 1992 154
5. C. Polop, H. Hansen, W. Langenkamp, Z. Zhong, C. Busse, U. Linke, M. Kotrla, P.J. Feibelman, and T. Michely Surf. Sci. 575 2005 89
6. S. Esch, M. Hohage, T. Michely, and G. Comsa Phys. Rev. Lett. 72 1994 518
7. A.R. Layson, J.W. Evans, and P.A. Thiel Phys. Rev. B 65 1992 193409
8. A.R. Layson, J.W. Evans, V. Fournée, and P.A. Thiel J. Chem. Phys. 118 2003 6467
9. S.A. Flodström, R.Z. Bachrach, R.S. Bauer, and S.B.M. Hagström Phys. Rev. Lett. 37 1976 1282
10. D. Starodub, T. Gustafsson, and E. Garfunkel Surf. Sci. 552 2004 199
11. A. Hasnaoui, O. Politano, J.M. Salazar, G. Aral, R.K. Kalia, A. Nakano, and P. Vashishta Surf. Sci. 597 2005 47
12. A. Hasnaoui, O. Politano, J.M. Salazar, and G. Aral Phys. Rev. B 73 2006 035427
13. W. Eberhardt, and F.J. Himpsel Phys. Rev. Lett. 42 1979 1375
14. C.W.B. Martinson, and S.A. Flodstrom Surf. Sci. 80 1979 306
15. I.P. Batra, and L. Kleinman J. Electron Spectrosc. Relat. Phenom. 33 1984 175
16. R. Michel, J. Gastaldi, C. Allasia, C. Jourdan, and J. Derrien Surf. Sci. 95 1980 309
17. M. Schmid, G. Leonardelli, R. Tscheliessnig, A. Biedermann, and P. Varga Surf. Sci. Lett. 478 2001 L355
18. A.J. Komrowski, J.Z. Sexton, A.C. Kummel, M. Binetti, O. Weisse, and E. Hasselbrink Phys. Rev. Lett. 87 2001 246103
19. H. Brune, J. Wintterlin, R.J. Behm, and G. Ertl Phys. Rev. Lett. 68 1992 624
20. A. Kiejna, and B.I. Lundqvist Phys. Rev. B 63 2001 085405
21. J. Jacobsen, B. Hammer, K.W. Jacobsen, and J.K. Norskov Phys. Rev. B 52 1995 14954
22. K.L. Bedford, and A.B. Kunz Phys. Rev. B 25 1982 2119
23. Yu.F. Zhukovskii, P.W.M. Jacobs, and M. Causà J. Phys. Chem. Solids 64 2003 1317
24. D.R. Salahub, L.-C. Niem, and M. Roche Surf. Sci. 100 1980 199
25. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
26. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
27. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
28. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
29. P.E. Blöchl Phys. Rev. B 50 1994 17953
30. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
31. D. Vanderbilt Phys. Rev. B 41 1990 7892
32. G. Kresse, and J. Hafner J. Phys. Condens. Matter 6 1994 8245
33. N.D. Mermin Phys. Rev. 137 1965 A1441
34. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
35. J. Paier, R. Hirschl, M. Marsman, and G. Kresse J. Chem. Phys. 122 2005 234102
36. A. Kiejna, G. Kresse, J. Rogal, A. De Sarkar, K. Reuter, and M. Scheffler Phys. Rev. B 73 2006 035404
37. A. Soon, M. Todorova, B. Delley, and C. Stampfl Phys. Rev. B 73 2006 165424
38. D.R. Lide CRC Handbook of Chemistry and Physics 90th ed 2009-2010 CRC Press Boca Raton
39. K. Stockbro, and S. Baroni Surf. Sci. 370 1997 166
40. R. Stumpf, and M. Scheffler Phys. Rev. B 53 1996 4958
41. Y. Tiwary, and K.A. Fichthorn Phys. Rev. B 75 2007 235451
42. S.Y. Liem, G. Kresse, and J.H.R. Clarke Surf. Sci. 415 1998 194
43. P.A. Gravil, D.M. Bird, and J.A. White Phys. Rev. Lett. 77 1996 3933
44. Y. Tiwary, and K.A. Fichthorn Phys. Rev. B 78 2008 205418
45. Y. Tiwary, and K.A. Fichthorn Phys. Rev. B 81 2010 195421
46. S.Y. Liem, J.H.R. Clarke, and G. Kresse Surf. Sci. 459 2000 104
47. M. Alatalo, S. Jaatinen, P. Salo, and K. Laasonen Phys. Rev. B 70 2004 245417
48. Y. Xu, and M. Mavrikakis Surf. Sci. 494 2001 131
49. D.A. Outka, J. Stöhr, W. Jark, P. Stevens, J. Solomon, and R.J. Madix Phys. Rev. B 35 1987 4119
50. J.R. Hahn, and W. Ho J. Chem. Phys. 123 2005 214702
51. B.G. Briner, M. Doering, H.-P. Rust, and A.M. Bradshaw Phys. Rev. Lett. 78 1997 1516
52. X.Y. Pang, L.Q. Xue, and G.C. Wang Langmuir 23 2007 4910
53. X. Duan, O. Warschkow, A. Soon, B. Delley, and C. Stampfl Phys. Rev. B 81 2010 075430
54. S.W. Hla, P. Lacovig, G. Comelli, A. Baraldi, M. Kiskinova, and R. Rosei Phys. Rev. B 60 1999 7800
55. F. Bondino, G. Comelli, A. Baraldi, R. Rosei, S. Lizzit, A. Goldoni, R. Larciprete, and G. Paolucci Phys. Rev. B 66 2002 075402
56. T. Zambelli, J.V. Barth, J. Wintterlin, and J. Phys Condens Matter 14 2002 4241
57. F. Buatier de Mongeot, W. Zhu, A. Molle, R. Buzio, C. Boragno, U. Valbusa, E.G. Wang, and Z. Zhang Phys. Rev. Lett. 91 2003 016102
58. K. Fichthorn, and M. Scheffler Nature 429 2004 617