Adsorption of OH and H at the LiNbO 3(0001) surface

Physica Status Solidi (C) Current Topics in Solid State Physics

Volumn 9, Issue 6, 2012, Pages 1361-1365

  Holscher R ^a   Sanna, S ^a   Schmidt, W G ^a  

^a UNIVERSITY OF PADERBORN   (Germany)

Author keywords

Adsorption; DFT; LiNbO 3; Surfaces; Theory

Indexed keywords

ADSORPTION ENERGIES; COVALENT NATURE; DFT; ELECTROSTATIC EFFECT; HYDROGEN ATOMS; HYDROXYL RADICALS; LINBO 3; SPONTANEOUS POLARIZATIONS; SURFACE CATIONS; SURFACE OXYGEN; SURFACE PHYSICS; THEORY; TOTAL ENERGY CALCULATION;

ADSORBATES; CALCULATIONS; FUNCTIONAL GROUPS; OXYGEN; POLARIZATION; SURFACES;

ADSORPTION;

EID: 84862010960     PISSN: 18626351     EISSN: 16101642     Source Type: Journal    
DOI: 10.1002/pssc.201100534     Document Type: Article

References (28)

1. R. S. Weis and T. K. Gaylord, Lithium-niobate - summary of physical-properties and crystal-structure, Jan 1985.
2. W.G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, and A. Hermann, Phys. Rev. B 77(3)(2008).
3. G. Namkoong, K.K. Lee, S. M. Madison, W. Henderson, S. E. Ralph, and W.A. Doolittle, Appl. Phys. Lett. 87(17) (2005), 171107.
4. Y. Watanabe, M. Okano, and A. Masuda, Phys. Rev. Lett. 86(2) (2001), 332-335.
5. W.C. Yang, B. J. Rodriguez, A. Gruverman, and R. J. Nemanich, Appl. Phys. Lett. 85(12) (2004), 2316.
6. B. Rosenblum, P. Bräunlich, and J. P. Carrico, Appl. Phys. Lett. 25(1) (1974), 17.
7. K. Nassau, H. J. Levinstein, and G. M. Loiacono, J. Phys. Chem. Solids 27 (1966), 983.
8. C. L. Sones, S. Mailis, W. S. Brocklesby, R.W. Eason, and J. R. Owen, J. Mater. Chem. 295 (2002), 12.
9. Y. Yun, L. Kampschulte,M. Li, a D. Liao, and E. I. Altman, J. Phys. Chem. C 111 (2007), 13951-13956.
10. J. Garra, J.M. Vohs, and D.A. Bonnell, Surf. Sci. 603 (2009), 1106.
11. Y. Inoue, I. Yoshioka, and K. Sato, J. Phys. Chem. 88 (1984), 1148-1151.
12. S.V. Kalinin, D.A. Bonnell, T. Alvarez, X. Lei, Z. Hu, J.H. Ferris, Q. Zhang, and S. Dunn, Nano Lett. 2(6) (2002), 589-593.
13. D.D. Fong, A. M. Kolpak, J.A. Eastman, S.K. Streiffer, P.H. Fuoss, G.B. Stephenson, C. Thompson, D. M. Kim, K. J. Choi, C.B. Eom, I. Grinberg, and A. M. Rappe, Phys. Rev. Lett. 96(12) (2006), 127601.
14. X. Liu, K. Kitamura, K. Terabe, H. Hatano, and N. Ohashi, Appl. Phys. Lett. 91(4) (2007), 044101.
15. S. Dunn and D. Tiwari, Appl. Phys. Lett. 93(9) (2008), 092905.
16. S. Habicht, R. J. Nemanich, and A. Gruveman, Nanotechnology(Nov), 1-4 (2008).
17. D. Li, M.H. Zhao, J. Garra, A.M. Kolpak, A. M. Rappe, D.A. Bonnell, and J.M. Vohs, Nature Mater. 7(6) (2008), 473.
18. S.C. Bharath, K.R. Pimputkar, A. M. Pronschinske, and T. P. Pearl, Appl. Surf. Sci. 254(7) (2008), 2048-2053.
19. A.Y. Lushkin, A.Y. Lushkin, V. B. Nazarenko, V. B. azarenko, K.N. Pilipchak, K.N. Pilipchak, V. F. Shnyukov, V. F. Shnyukov, A.G. Naumovets, and A.G. Naumovets, J. Phys. D 32(Jan) (1999), 9.
20. Y. Yun, M. Li, D. Liao, L. Kampschulte, and E. Altman, Surf. Sci. 601(19) (2007), 4636-4647.
21. S. Sanna and W.G. Schmidt, Phys. Rev. B 81(21) (2010), 214116.
22. S.V. Levchenko and A. M. Rappe, Phys. Rev. Lett. 100(25) (2008).
23. H. Kawanowa, R. Souda, H. Ozawa, Y. Gotoh, K. Terabe, S. Takekawa, and K. Kitamura, Surf. Sci. Lett. 538 (2003), L500-L504.
24. J. P. Perdew and W. Yue, Phys. Rev. B 33(12) (1986), 8800-8802.
25. G. Kresse and J. Furthmüller, Phys. Rev. B 54(16) (1996), 11169-11186.
26. P. E. Blöchl, Phys. Rev. B 50(24) (1994), 17953-17979.
27. J. Neugebauer and M. Scheffler, Phys. Rev. B 46(24) (1992), 16067-16080.
28. L. Bengtsson, Phys. Rev. B 59(19) (1999), 12301-12304.