Intertwined Rashba, Dirac and Weyl Fermions in Hexagonal Hyperferroelectrics
Domenico Di Sante, Paolo Barone, Alessandro Stroppa, Kevin F. Garrity, David Vanderbilt, Silvia Picozzi
Abstract
By means of density functional theory based calculations, we study the role of spin-orbit coupling in the new family of ABC hyperferroelectrics [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 semi-metal phase of finite concentration extension, which is robust against disorder, putting forward hyperferroelectrics as promising candidates for spin-orbitronic applications.