title: Hexagonal ABC semiconductors as ferroelectrics.
abstract: We use a first-principles rational-design approach to identify a previously unrecognized class of ferroelectric materials in the P6(3)mc 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.
authors.affiliation: Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA.
authors.forename: Joseph W
authors.initials: JW
authors.lastname: Bennett
authors.forename: Kevin F
authors.initials: KF
authors.lastname: Garrity
authors.forename: Karin M
authors.initials: KM
authors.lastname: Rabe
authors.forename: David
authors.initials: D
authors.lastname: Vanderbilt