Hyperferroelectrics: Proper ferroelectrics with persistent polarization

Kevin F. Garrity, Karin M. Rabe, David Vanderbilt

Research output: Contribution to journalArticlepeer-review

74 Scopus citations

Abstract

All known proper ferroelectrics are unable to polarize normal to a surface or interface if the resulting depolarization field is unscreened, but there is no fundamental principle that enforces this behavior. In this work, we introduce hyperferroelectrics, a new class of proper ferroelectrics which polarize even when the depolarization field is unscreened, this condition being equivalent to instability of a longitudinal optic mode in addition to the transverse-optic- mode instability characteristic of proper ferroelectrics. We use first-principles calculations to show that several recently discovered hexagonal ferroelectric semiconductors have this property, and we examine its consequences both in the bulk and in a superlattice geometry.

Original languageEnglish (US)
Article number127601
JournalPhysical review letters
Volume112
Issue number12
DOIs
StatePublished - Dec 1 2013

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy

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