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Ferroelectricity in [111]-oriented epitaxially strained SrTiO3 from first principles

Year: 2019
Type: article
Abstract: Advances in molecular beam epitaxy have prompted considerable interest in the effect of epitaxial strain in perovskite oxides. However, while the effect of [001]-oriented biaxial strain has lead to exciting physical phenomena and the design of functional materials, biaxial strain perpendicular to the [111] direction has received considerably less attention. In this work, the authors combine symmetry analysis and first-principles calculations to explore the effect of [111] biaxial strain in SrTiO${}_{3}$, a prototypical perovskite with important technological applications. The authors shed light into the symmetry constraints imposed by [111] biaxial strain on the perovskite structure, and analyze a variety of emerging structures that are not present under [001] strain. Hence [111]-oriented strain provides an alternative path to manipulate electronic, magnetic, and topological degrees of freedom, and to discover new physical phenomena.
DOI: 10.1103/physrevmaterials.3.030601
Institutions: Universidad Andrés Bello, Lawrence Berkeley National Laboratory, Molecular Foundry, University of California, Berkeley, Rutgers, The State University of New Jersey, Kavli Energy NanoScience Institute
Language: Latvian
Open Access status: green
Funders: U.S. Department of Energy, Office of Science, Office of Naval Research, Basic Energy Sciences, Fondo Nacional de Desarrollo Científico y Tecnológico, Division of Materials Sciences and Engineering
OpenAlex ID: W2996681464
FWCI: 0.955
Cites: 58
Cited by: 15
Related to: 10