C(4 × 2) and related structural units on the SrTiO 3(001) surface: Scanning tunneling microscopy, density functional theory, and atomic structure

Journal of Chemical Physics

Volumn 136, Issue 21, 2012, Pages

  Becerra Toledo, A E ^a   Marshall, M S J ^b,c   Castell, M R ^b   Marks, L D ^a  

^a Northwestern University   (United States)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c Yale University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BUILDING BLOCKES; CONSTANT-CURRENT; SPECTROSCOPIC DATA; SRTIO; STRUCTURAL MODELS; STRUCTURAL MOTIFS; STRUCTURAL UNIT; SURFACE LAYERS; TIO;

MODEL STRUCTURES; NANOSTRUCTURES; SCANNING TUNNELING MICROSCOPY; STRONTIUM TITANATES;

DENSITY FUNCTIONAL THEORY;

EID: 84862546569     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4719212     Document Type: Article

References (32)

1. J. G. Mavroides, J. A. Kafalas, and D. F. Kolesar, Appl. Phys. Lett. 28, 241 (1976). 10.1063/1.88723
2. P. Chaudhari, R. Koch, R. Laibowitz, T. McGuire, and R. Gambino, Phys. Rev. Lett. 58, 2684 (1987). 10.1103/PhysRevLett.58.2684
3. A. Ohtomo and H. Y. Hwang, Nature (London) 427, 423 (2004). 10.1038/nature02308
4. M. R. Castell, Surf. Sci. 516, 33 (2002). 10.1016/S0039-6028(02)02053-8
5. M. R. Castell, Surf. Sci. 505, 1 (2002). 10.1016/S0039-6028(02)01393-6
6. F. Silly and M. R. Castell, J. Phys. Chem. B 109, 12316 (2005). 10.1021/jp051358q
7. D. S. Deak, F. Silly, D. T. Newell, and M. R. Castell, J. Phys. Chem. B 110, 9246 (2006). 10.1021/jp060954x
8. N. Erdman, K. R. Poeppelmeier, M. Asta, O. Warschkow, D. R. Ellis, and L. D. Marks, Nature (London) 419, 55 (2002). 10.1038/nature01010
9. N. Erdman, O. Warschkow, M. Asta, K. R. Poeppelmeier, D. R. Ellis, and L. D. Marks, J. Am. Chem. Soc. 125, 10050 (2003). 10.1021/ja034933h
10. O. Warschkow, M. Asta, N. Erdman, K. R. Poeppelmeier, D. E. Ellis, and L. D. Marks, Surf. Sci. 573, 446 (2004). 10.1016/j.susc.2004.10.012
11. C. H. Lanier, A. Van de Walle, N. Erdman, E. Landree, O. Warschkow, A. Kazimirov, K. R. Poeppelmeier, J. Zegenhagen, M. Asta, and L. D. Marks, Phys. Rev. B 76, 045421 (2007). 10.1103/PhysRevB.76.045421
12. M. Kawasaki, A. Ohtomo, T. Arakane, K. Takahashi, M. Yoshimoto, and H. Koinuma, Appl. Surf. Sci. 107, 102 (1996). 10.1016/S0169-4332(96)00512-0
13. R. Herger, P. R. Willmott, O. Bunk, C. M. Schlepütz, and B. D. Patterson, Phys. Rev. Lett. 98, 076102 (2007). 10.1103/PhysRevLett.98.076102
14. E. Heifets, S. Piskunov, E. A. Kotomin, Y. F. Zhukovskii, and D. E. Ellis, Phys. Rev. B 75, 115417 (2007). 10.1103/PhysRevB.75.115417
15. D. M. Kienzle, A. E. Becerra-Toledo, and L. D. Marks, Phys. Rev. Lett. 106, 176102 (2011). 10.1103/PhysRevLett.106.176102
16. D. S. Deak, F. Silly, K. Porfyrakis, and M. R. Castell, J. Am. Chem. Soc. 128, 13976 (2006). 10.1021/ja0634369
17. D. S. Deak, F. Silly, K. Porfyrakis, and M. R. Castell, Nanotechnology 18, 075301 (2007). 10.1088/0957-4484/18/7/075301
18. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2k, An Augmented Plane Wave Local Orbitals Program for Calculating Crystal Properties (Universität Wien, Vienna, 2010).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
20. J. Tersoff, and D. R. Hamann, Phys. Rev. Lett. 50, 1998 (1983). 10.1103/PhysRevLett.50.1998
21. J. Bardeen, Phys. Rev. Lett. 6, 57 (1961). 10.1103/PhysRevLett.6.57
22. M. S. J. Marshall, A. E. Becerra-Toledo, L. D. Marks, and M. R. Castell, Phys. Rev. Lett. 107, 086102 (2011). 10.1103/PhysRevLett.107.086102
23. K. Stokbro, U. Quaade, and F. Grey, Appl. Phys. A 66, S907 (1998). 10.1007/s003390051265
24. C. J. Chen, Introduction to Scanning Tunneling Microscopy (Oxford University Press, New York, 1993).
25. J. A. Enterkin, A. E. Becerra-Toledo, K. R. Poeppelmeier, and L. D. Marks, Surf. Sci. 606, 344 (2012). 10.1016/j.susc.2011.10.018
26. I. D. Brown and D. Altermatt, Acta Crystallogr., Sect. B: Struct. Commun. 41, 244 (1985). 10.1107/S0108768185002063
27. K. Kníek, Kalvados - Software for crystal structure and powder diffraction; see http://www.fzu.cz/~knizek/kalvados/index.html.
28. R. W. G. Wyckoff, Crystal Structures, Vol. 1 (Interscience Publishers, New York, 1963).
29. See supplementary material at http://dx.doi.org/10.1063/1.4719212 E-JCPSA6-136-037220 for structural models and STM simulations not imaged in the main article, as well as for relevant CIF files.
30. 3(001) surfaces. (unpublished).
31. M. Lontsi-Fomena, A. Villesuzanne, J. P. Doumerc, C. Frayret, and M. Pouchard, Comput. Mater. Sci. 44, 53 (2008). 10.1016/j.commatsci.2008.01.046
32. J. Carrasco, F. Illas, N. Lopez, E. A. Kotomin, Y. F. Zhukovskii, R. A. Evarestov, Y. A. Mastrikov, S. Piskunov, and J. Maier, Phys. Rev. B 73, 064106 (2006). 10.1103/PhysRevB.73.064106