Surface structure of In2O3(111) (1 × 1) determined by density functional theory calculations and low energy electron diffraction

Surface Science

Volumn 606, Issue 1-2, 2012, Pages 1-6

  Pussi, K ^a   Matilainen, A ^a   Dhanak, V R ^c   Walsh, A ^d   Egdell, R G ^b   Zhang, K H L ^b  

^a LAPPEENRANTA UNIVERSITY OF TECHNOLOGY   (Finland)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c UNIVERSITY OF LIVERPOOL   (United Kingdom)

^d University of Bath   (United Kingdom)

Author keywords

Density functional calculations; Indium oxide; Low energy electron diffraction; Surface structure

Indexed keywords

AB INITIO; DENSITY FUNCTIONAL THEORY CALCULATIONS; DYNAMICAL ANALYSIS; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; INCIDENT ENERGY; INDIUM OXIDE; LOW ENERGY ELECTRONS; R FACTOR; VARIABLE PARAMETERS;

BALLOONS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIFFRACTION; INDIUM; LOW ENERGY ELECTRON DIFFRACTION;

SURFACE STRUCTURE;

EID: 80255123765     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.07.014     Document Type: Article

References (38)

1. I. Hamberg, and C.G. Granqvist J. Appl. Phys. 60 1986 R123
2. D.S. Ginley, H. Hosono, and D.C. Paine Handbook of Transparent Conductors 2010 Springer New York
3. C.G. Granqvist, and A. Hultaker Thin Solid Films 411 2002 1
4. C.G. Granqvist Int. J. Nanotechnol. 6 2009 785
5. O. Bierwagen, M.E. White, M.Y. Tsai, and J.S. Speck Appl. Phys. Lett. 95 2009 262105
6. O. Bierwagen, and J.S. Speck Appl. Phys. Lett. 97 2010 072103
7. O. Bierwagen, and J.S. Speck J. Appl. Phys. 107 2010 113159
8. A. Bourlange, D.J. Payne, R.G. Egdell, J.S. Foord, P.P. Edwards, M.O. Jones, A. Schertel, P.J. Dobson, and J.L. Hutchison Appl. Phys. Lett. 92 2008 092117
9. A. Bourlange, D.J. Payne, R.G. Palgrave, J.S. Foord, R.G. Egdell, R.M.J. Jacobs, A. Schertel, J.L. Hutchison, and P.J. Dobson Thin Solid Films 517 2009 4286
10. P.D.C. King, T.D. Veal, F. Fuchs, C.Y. Wang, D.J. Payne, A. Bourlange, H.L. Zhang, G.R. Bell, V. Cimalla, O. Ambacher, R.G. Egdell, F. Bechstedt, and C.F. McConville Phys. Rev. B 79 2009 205211
11. H. Ohta, M. Orita, M. Hirano, H. Tanji, H. Kawazoe, and H. Hosono Appl. Phys. Lett. 76 2000 2740
12. H. Ohta, M. Orita, M. Hirano, and H. Hosono J. Appl. Phys. 91 2002 3547
13. T. Koida, and M. Kondo J. Appl. Phys. 99 2006 123703
14. E.H. Morales, Y.B. He, M. Vinnichenko, B. Delley, and U. Diebold New J. Phys. 10 2008 125030
15. E.H. Morales, and U. Diebold Appl. Phys. Lett. 95 2009 253105
16. K.H.L. Zhang, D.J. Payne, R.G. Palgrave, V.K. Lazarov, W. Chen, A.T.S. Wee, C.F. McConville, P.D.C. King, T.D. Veal, G. Panaccione, P. Lacovig, and R.G. Egdell Chem. Mater. 21 2009 4353
17. M. Marezio Acta Crystallogr. 20 1966 723
18. G. Ballabio, M. Bernasconi, F. Pietrucci, and S. Serra Phys. Rev. B 70 2004 075417
19. F. Lallet, N. Olivi-Tran, and L.J. Lewis Phys. Rev. B 79 2009 035413
20. F.N. Skomurski, R.C. Ewing, A.L. Rohl, J.D. Gale, and U. Becker Am. Mineral. 91 2006 1761
21. K.H.L. Zhang, A. Walsh, C.R.A. Catlow, V.K. Lazarov, and R.G. Egdell Nano Lett. 10 2010 3740
22. P.W. Tasker J. Phys. C-Solid State Physics 12 1979 4977
23. A. Bourlange, D.J. Payne, R.M.J. Jacobs, R.G. Egdell, J.S. Foord, A. Schertel, P.J. Dobson, and J.L. Hutchison Chem. Mater. 20 2008 4551
24. A. Bourlange, D.J. Payne, R.G. Palgrave, H. Zhang, J.S. Foord, R.G. Egdell, R.M.J. Jacobs, T.D. Veal, P.D.C. King, and C.F. McConville J. Appl. Phys. 106 2009 013703
25. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
26. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
27. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
28. A. Walsh, and C.R.A. Catlow J. Mat. Chem. 20 2010 10438
29. M.A. Vanhove, W. Moritz, H. Over, P.J. Rous, A. Wander, A. Barbieri, N. Materer, U. Starke, and G.A. Somorjai Surf. Sci. Reports 19 1993 191
30. A. Barbieri, M.A. Vanhove, unpublished.
31. J.B. Pendry J. Phys. C-Solid State Phys. 13 1980 937
32. V.B. Nascimento, R.G. Moore, J. Rundgren, J.D. Zhang, L. Cai, R. Jin, D.G. Mandrus, and E.W. Plummer Phys. Rev. B 75 2007 035408
33. R. Lindsay, A. Wander, A. Ernst, B. Montanari, G. Thornton, and N.M. Harrison Phys. Rev. Lett. 94 2005 153404
34. W. Busayaporn, X. Torrelles, A. Wander, S. Tomic, A. Ernst, B. Montanari, N.M. Harrison, O. Bikondoa, I. Joumard, J. Zegenhagen, G. Cabailh, G. Thornton, and R. Lindsay Phys. Rev. B 81 2010 1299
35. R. Pentcheva, W. Moritz, J. Rundgren, S. Frank, D. Schrupp, and M. Scheffler Surf. Sci. 602 2008 1299
36. K.M. Schindler, J. Wang, A. Chasse, H. Neddermeyer, and W. Widdra Surf. Sci. 603 2009 2658
37. J. Vogt, J. Henning, and H. Weiss Surf. Sci. 578 2005 57
38. P.W. Tasker Surf. Sci. 87 1979 315