Tailoring Interface Structure in Highly Strained YSZ/STO Heterostructures

Authors

  • A. Rivera-Calzada,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • M. R. Diaz-Guillen,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • O. J. Dura,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • G. Sanchez-Santolino,

    1. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6071, USA
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  • T. J. Pennycook,

    1. Department of Physics and Astronomy, Vanderbilt University, Nashville Tennessee 37235, USA
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  • R. Schmidt,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • F. Y. Bruno,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • J. Garcia-Barriocanal,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • Z. Sefrioui,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • N. M. Nemes,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • M. Garcia-Hernandez,

    1. Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas, 28049 Cantoblanco, Spain
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  • M. Varela,

    1. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6071, USA
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  • C. Leon,

    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
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  • S. T. Pantelides,

    Corresponding author
    1. Department of Physics and Astronomy, Vanderbilt University, Nashville Tennessee 37235, USA
    • Department of Physics and Astronomy, Vanderbilt University, Nashville Tennessee 37235, USA
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  • S. J. Pennycook,

    Corresponding author
    1. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6071, USA
    • Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6071, USA
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  • J. Santamaria

    Corresponding author
    1. GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain
    • GFMC, Departamento de Física Aplicada III, Facultad de Física, Universidad Complutense de Madrid, Campus Moncloa, 28040 Madrid, Spain.
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Abstract

Heterostructures combining transition metal oxides, as compared to other materials, are able to accommodate very large amounts of epitaxial strain without breaking into islands or structural domains. Coherently strained interfaces are an interesting playground for the search of materials with enhanced ion diffusivities, of interest in devices for energy generation and storage. In this work we highlight the importance of the interface structure of highly strained YSZ/STO superlattices in determining an enhancement of their ionic conductivity. We show the role of growth orientation in controlling the structure and morphology of the interface. Results of density functional theory calculations are discussed, showing that the incompatibility of the oxygen positions at the interface planes plays a key role in stabilizing the high values of ionic conductivities.

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