First principles study of structure and electronic properties of a stannate Hybrid Improper Ferroelectric

ORAL

Abstract

Hybrid improper ferroelectricity provides a means to design lead-free ferroelectrics. Sr3Sn2O7, which is recently shown to be ferroelectric, can bring together the low electronic effective mass observed in stannates with the robust, switchable polarization of hybrid improper ferroelectricity. In this talk, we are going to present a systematically investigation on structure and electronic properties of Sr3Sn2O7 under biaxial strain. We find that the biaxial strain has significant effect on ground state structure, polarization switching, as well as the electronic structure.

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Presenters

  • Shutong Li

    Department of Chemical Engineering and Material science, University of Minnesota

Authors

  • Shutong Li

    Department of Chemical Engineering and Material science, University of Minnesota

  • Turan Birol

    Department of Chemical Engineering and Material science, University of Minnesota, Chemical Engineering and Materials Science, University of Minnesota - Twin Cities, University of Minnesota, Department of Chemical Engineering and Materials Science, University of Minnesota, Department of Chemical Engineering and Materials Science, UNIVERSITY OF MINNESOTA