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Magnéli-like phases in epitaxial anatase TiO thin films

Author(s): Ciancio, Regina; Carlino, Elvio; Rossi, Giorgio; Aruta, Carmela; Scotti di Uccio, Umberto; et al

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Abstract: © 2012 American Physical Society. Using high-resolution transmission electron microscopy and image simulation techniques in combination with ab initio calculations, we show the existence of two different superlattices of crystallographic shear planes, analogous to the Magnéli phases of rutile, in oxygen-deficient films of anatase TiO2 epitaxially grown on LaAlO3 substrates. (103)- and (101)-oriented shear plane structures are detected in the outer film region and in proximity of the film/substrate interface, respectively. We show that these shear planes are characterized by TiO-like cubic local structures, which can deviate from the TinO2n−1 stoichiometry of the classical rutile-derived Magnéli phases, particularly in the outer part of the film. Computed formation energies provide insights into the thermodynamic stability of the observed structures and their relations to the growth dynamics.
Publication Date: 21-Sep-2012
Electronic Publication Date: 21-Sep-2012
Citation: Ciancio, R., Carlino, E., Rossi, G., Aruta, C., Scotti di Uccio, U., Vittadini, A., Selloni, A. (2012). Magnéli-like phases in epitaxial anatase TiO thin films. Physical Review B, 86 (10), 10.1103/PhysRevB.86.104110
DOI: doi:10.1103/PhysRevB.86.104110
ISSN: 1098-0121
EISSN: 1550-235X
Pages: 86, 104110-1 - 104110-6
Type of Material: Journal Article
Journal/Proceeding Title: Physical Review B
Version: Final published version. Article is made available in OAR by the publisher's permission or policy.

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