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

Sanna, Simone; Schmidt, Wolf Gero; Rode, Sebastian; Klassen, Stefanie; Kühnle, Angelika

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: 75403.

Zeitschriftenaufsatz | Veröffentlicht | Englisch

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DOI

https://doi.org/10.1103/PhysRevB.89.075403

URN

urn:nbn:de:0070-pub-29137957

Autor*in

Sanna, Simone; Schmidt, Wolf Gero; Rode, Sebastian; Klassen, Stefanie; Kühnle, Angelika^UniBi

Einrichtung

Fakultät für Chemie > Physikalische Chemie I

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.

Erscheinungsjahr

2014

Zeitschriftentitel

Physical Review B

Band

Seite(n)

75403

Urheberrecht / Lizenzen

Creative Commons Namensnennung 4.0 International Public License (CC-BY 4.0)

ISSN

1098-0121

eISSN

1550-235X

Page URI

https://pub.uni-bielefeld.de/record/2913795

Zitieren

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;89:75403.

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, 75403. https://doi.org/10.1103/PhysRevB.89.075403

Sanna, Simone, Schmidt, Wolf Gero, Rode, Sebastian, Klassen, Stefanie, and Kühnle, Angelika. 2014. “Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory”. Physical Review B 89: 75403.

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, 75403.

Sanna, S., et al., 2014. Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory. Physical Review B, 89, p 75403.

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. 75403.

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, 75403 (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 (2014): 75403.

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