Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory

Sanna S, Schmidt WG, Rode S, Klassen S, Kühnle A (2014)
Physical Review B 89(7): 075403.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
The LiNbO3(2 (11) over bar0) surface, commonly referred to as X-cut, is investigated by means of atomic force microscopy and first-principles calculations. Atomically resolved atomic force microscopy images show geometrical patterns not compatible with truncated bulk terminations. Fast Fourier transformation of the real-space images shows an oblique surface unit cell with lattice parameters of a = 0.75 +/- 0.02 nm, b = 0.54 +/- 0.02 nm, and alpha = 94.8 degrees. Comparing these experimental results with the theoretical models of stable surface terminations provides clear evidence for the formation of a -Li-12 termination. The LN X-cut is, thus, characterized by a nonstoichiometric and Li-enriched composition. An analysis of the surface electronic charge indicates that the atomic force microscopy contrast is governed by the charge accumulation at the oxygen ions.
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Zeitschriftentitel
Physical Review B
Band
89
Zeitschriftennummer
7
Seite
075403
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Sanna S, Schmidt WG, Rode S, Klassen S, Kühnle A. Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory. Physical Review B. 2014;89(7):075403.
Sanna, S., Schmidt, W. G., Rode, S., Klassen, S., & Kühnle, A. (2014). Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory. Physical Review B, 89(7), 075403. doi:10.1103/PhysRevB.89.075403
Sanna, S., Schmidt, W. G., Rode, S., Klassen, S., and Kühnle, A. (2014). Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory. Physical Review B 89, 075403.
Sanna, S., et al., 2014. Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory. Physical Review B, 89(7), p 075403.
S. Sanna, et al., “Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory”, Physical Review B, vol. 89, 2014, pp. 075403.
Sanna, S., Schmidt, W.G., Rode, S., Klassen, S., Kühnle, A.: Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory. Physical Review B. 89, 075403 (2014).
Sanna, Simone, Schmidt, Wolf Gero, Rode, Sebastian, Klassen, Stefanie, and Kühnle, Angelika. “Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory”. Physical Review B 89.7 (2014): 075403.
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2018-09-03T09:08:07Z