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

Shutong Li; Turan Birol

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.

^*This work was supported primarily by the National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-1420013.

March 7, 2019, 3:06 PM – March 7, 2019, 3:18 PM

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