40 research outputs found
Hexagonal as semiconducting ferroelectrics
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.Comment: 5 pages, 2 figures, 3 table