Surface properties of alkaline earth metal oxides

Surface Science

Volumn 554, Issue 2-3, 2004, Pages 262-271

  Broqvist, Peter ^a   Grönbeck, Henrik ^a   Panas, Itai ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

Alkaline earth metals; Density functional calculations; Surface energy; Surface relaxation and reconstruction; Surface structure, morphology, roughness, and topography

Indexed keywords

APPROXIMATION THEORY; CATALYSIS; MATHEMATICAL MODELS; MICROELECTRONICS; NEGATIVE IONS; OXIDES; PROBABILITY DENSITY FUNCTION; SURFACE PROPERTIES; SURFACE STRUCTURE;

METAL OXIDES; SURFACE RELAXATION;

ALKALINE EARTH METALS;

EID: 1842453649     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2004.02.014     Document Type: Article

References (60)

1. Freund H.J., Kuhlenbeck H., Staemmler V. Reports of Progress in Physics. 59:1996;283.
2. Freund H.J. Faraday Discussions. 114:1999;1.
3. Pacchioni G. Surface Review and Letters. 7(3):2000;277.
4. Noguera C. Surface Review and Letters. 8(1-2):2001;121.
5. Shelef M. Chemical Review. 95:1995;209.
6. Bögner W., Krämer M., Krutzcsh B., Pischinger S., Voigtländer D., Wenninger G., Wirbeleit F., Brogan M., Brisley R., Webster D.E. Applied Catalysis B. 7:1995;153.
7. Takahashi N. Catalysis Today. 27:1996;63.
8. Weaver J.F., Carlsson A.J., Madix R.J. Surface Science Reports. 50:2003;107.
9. Greeley J., Nørskov J.K., Mavrikakis M. Annual Review of Physical Chemistry. 53:2002;319.
10. Hammer B., Nørskov J.K. Advances in Catalysis. 45:2000;71.
11. Sorescu D.C., Yates J.T. Journal of Physical Chemistry B. 102:1998;4556.
12. Broqvist P., Panas I., Fridell E., Persson H. Journal of Physical Chemistry B. 106:2002;262.
13. Broqvist P., Panas I., Persson H. Journal of Catalysis. 210:2002;198.
14. Pacchioni G., Rösch N. Journal of Physical Chemistry B. 101:1997;2786.
15. Bogicevic A., Jennison D.R. Surface Science. 437:1999;L741.
16. Hammer B. Physical Review Letters. 89:2002;16102.
17. Grönbeck H., Broqvist P. Journal of Chemical Physics. 119(7):2003;3896-3904.
18. Molina L.M., Hammer B. Physical Review Letters. 90:2003;206102.
19. Grönbeck H., Broqvist P. Journal of Physical Chemistry B. 107(44):2003;12239.
20. Grönbeck H. Topics in Catalysis. 28:2004;59.
21. Soick M., Buyevskaya O., Höhenberger M., Wolf B. Catalysis Today. 32:1996;163.
22. Fridell E., Skoglundh M., Johansson S., Westerberg B., Thörncrona A., Smedler G. Studies in Surface Science Catalysis. 116:1998;537.
23. Chang Z.P., Barsch G.R. Journal of Geophysical Research. 74:1969;3291.
24. Chang Z.P., Graham E.K. Journal of Physics and Chemistry of Solids. 38:1977;1355.
25. Cortona P., Monteleone A.V. Journal of Physics: Condensed Matter. 8:1996;8983.
26. Königstein M., Catlow C.R.A. Journal of Solid State Chemistry. 140:1998;103.
27. Mankefors S. Journal of Physics: Condensed Matter. 12:2000;2423.
28. Pugh S., Gillan M.J. Surface Science. 320(3):1994;331.
29. Langel W., Parrinello M. Journal of Chemical Physics. 103(8):1995;3240.
30. Musolino V., Selloni A., Car R. Journal of Chemical Physics. 108(12):1998;5044.
31. Verwey E.J.W. Recueil des Travaux Chimiques. 65:1946;521.
32. Goniakowski J., Noguera C. Surface Science. 323:1995;129.
33. Gerson A.R., Bredow T. Physical Chemistry Chemical Physics. 1:1999;4889.
34. Alfonso D.R., Snyder J.A., Jaffe J.E., Hess A.C., Gutowski M. Physical Review B. 62:2000;8318.
35. Hohenberg P., Kohn W. Physical Review. 136:1964;864.
36. Kohn W., Sham L.J. Physical Review. 140:1965;A1133.
37. Payne M., Teter M., Allan D.C., Arias T., Joannopoulus J. Review of Modern Physics. 64(4):1992;1045.
38. Vanderbilt D. Physical Review B. 41:1990;7892.
39. Kresse G., Furthmüller J. Physical Review B. 54:1996;11169.
40. Fischer T.H., Almlöf J. Journal of Physical Chemistry. 96:1992;9768.
41. Monkhorst H., Pack J. Physical Review B. 13:1976;5188.
42. Pack J., Monkhorst H. Physical Review B. 16:1977;1748.
43. Ceperly D.M., Adler B.J. Physical Review Letters. 45:1980;566.
44. Perdew J.P., Zunger A. Physical Review B. 23:1981;5048.
45. Perdew J., Burke K., Ernzenhof M. Physical Review Letters. 77:1996;3865.
46. Körling M., Häglund J. Physical Review B. 45:1992;13293.
47. Grönbeck H., Andreoni W. Chemical Physics. 262(1):2000;1.
48. Goniakowski J., Holender J., Kantorovich L., Gillan M., White J. Physical Review B. 53(3):1996;957.
49. Schönberger U., Aryasetiawan F. Physical Review B. 52(11):1995;8788.
50. Rao A.S., Keamey R.T. Physica Status Solidi. 95:1979;243.
51. Welton-Cook M., Berndt W. Journal of Physics C: Solid State Physics. 15:1982;5691.
52. Robach O., Renaud G., Barbier A. Surface Science. 401:1998;227.
53. Prutton M., Ramsey J.A., Walker J.A., Welton-Cook, M.R. Journal of Physics C: Solid State Physics. 12:1979;5271.
54. Pauling L. Proceedings of the Royal Society, London. A114:1927;181.
55. Andzelm J., Piela L. Journal of Physics C: Solid State Physics. 10:1977;2269.
56. Andzelm J., Piela L. Journal of Physics C: Solid State Physics. 11:1978;2695.
57. Bawa F., Panas I. Physical Chemistry Chemical Physics. 3:2001;3042.
58. Bawa F., Panas I. Physical Chemistry Chemical Physics. 4:2002;103.
59. Boettger J.C. Physical Review B. 49:1994;16798.
60. Fiorentini V., Methfessel M. Journal of Physics: Condensed Matter. 8:1996;6525.