Intertwined Rashba, Dirac, and Weyl Fermions in Hexagonal Hyperferroelectrics

Domenico Di Sante, Paolo Barone, Alessandro Stroppa, Kevin F. Garrity, David Vanderbilt, Silvia Picozzi

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Abstract

By means of density functional theory based calculations, we study the role of spin-orbit coupling in the new family of ABC hyperferroelectrics [Garrity, Rabe, and Vanderbilt Phys. Rev. Lett. 112, 127601 (2014)]. We unveil an extremely rich physics strongly linked to ferroelectric properties, ranging from the electric control of bulk Rashba effect to the existence of a three-dimensional topological insulator phase, with concomitant topological surface states even in the ultrathin film limit. Moreover, we predict that the topological transition, as induced by alloying, is followed by a Weyl semimetal phase of finite concentration extension, which is robust against disorder, putting forward hyperferroelectrics as promising candidates for spin-orbitronic applications.

Original languageEnglish (US)
Article number076401
JournalPhysical review letters
Volume117
Issue number7
DOIs
StatePublished - Aug 8 2016

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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