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Feiten FE, Seifert J, Paier J, et al. Surface structure of V_{2}O_{3}(0001) revisited. Phys Rev Lett. 2015;114(21):216101doi: 10.1103/PhysRevLett.114.216101.
Feiten, F. E., Seifert, J., Paier, J., Kuhlenbeck, H., Winter, H., Sauer, J., & Freund, H. J. (2015). Surface structure of V_{2}O_{3}(0001) revisited. Physical review letters, 114(21), 216101. https://doi.org/10.1103/PhysRevLett.114.216101
Feiten, Felix E, et al. "Surface structure of V_{2}O_{3}(0001) revisited." Physical review letters vol. 114,21 (2015): 216101. doi: https://doi.org/10.1103/PhysRevLett.114.216101
Feiten FE, Seifert J, Paier J, Kuhlenbeck H, Winter H, Sauer J, Freund HJ. Surface structure of V_{2}O_{3}(0001) revisited. Phys Rev Lett. 2015 May 29;114(21):216101. doi: 10.1103/PhysRevLett.114.216101. Epub 2015 May 26. PMID: 26066445.
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Phys Rev Lett. 2015 May 29;114(21):216101. doi: 10.1103/PhysRevLett.114.216101. Epub 2015 May 26.

Surface structure of V_{2}O_{3}(0001) revisited.

Physical review letters

Felix E Feiten, Jan Seifert, Joachim Paier, Helmut Kuhlenbeck, Helmut Winter, Joachim Sauer, Hans-Joachim Freund

Affiliations

  1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.
  2. Humboldt-Universität zu Berlin, Institut für Physik, Newtonstrasse 15, 12489 Berlin, Germany.
  3. Humboldt-Universität zu Berlin, Institut für Chemie, Unter den Linden 6, 10099 Berlin, Germany.

PMID: 26066445 DOI: 10.1103/PhysRevLett.114.216101

Abstract

In a recent paper [A. J. Window et al., Phys. Rev. Lett. 107, 016105 (2011)], it was proposed that V_{2}O_{3}(0001) is terminated by the so-called O_{3} termination, a reconstruction with a terminating distorted hexagonal oxygen layer. We show that the surface is terminated by vanadyl (V═O) groups instead. This conclusion is based on quantitative low-energy electron diffraction combined with scanning tunneling microscopy, fast atom scattering, and density functional theory employing the Heyd-Scuseria-Ernzerhof functional. New insights into the subsurface sensitivity of ion beam triangulation show that results previously interpreted in favor of the O_{3} termination are reconcilable with vanadyl termination as well.

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