Abstract
We use a first-principles rational-design approach to identify a previously unrecognized class of ferroelectric materials in the 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.
- Received 29 June 2012
DOI:https://doi.org/10.1103/PhysRevLett.109.167602
© 2012 American Physical Society
Synopsis
Finding Ferroelectrics
Published 18 October 2012
First-principles calculations predict a new class of ferroelectrics.
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