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arXiv · 1206.4732

Hexagonal $ABC$ as semiconducting ferroelectrics

Joseph W. Bennett·Kevin F. Garrity·Karin M. Rabe·David Vanderbilt
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Abstract

We use a first-principles rational-design approach to identify a previously-unrecognized class of ferroelectric materials in the $P63mc$ LiGaGe structure type. We calculate structural parameters, polarization and ferroelectric well depths both for reported and as-yet hypothetical representatives of this class. Our results provide guidance for the experimental realization and further investigation of high-performance materials suitable for practical applications.

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Joseph W. Bennett, Kevin F. Garrity, Karin M. Rabe, David Vanderbilt. 2012-06-20. Hexagonal $ABC$ as semiconducting ferroelectrics. https://doi.org/10.1103/physrevlett.109.167602

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