Anharmonic stabilization of ferrielectricity in CuInP${}_2$Se${}_6$

Abstract

Using first-principles calculations and group-theory based models, we study the stabilization of ferrielectricity (FiE) in CuInP${}_2$Se${}_6$. We find that the FiE ground state is stabilized by a large anharmonic coupling between the polar mode and a fully symmetric Raman-active mode. Our results open possibilities for controlling the single-step switching barrier for polarization by tuning the Raman-active mode. We discuss the implications of our findings in the context of designing next-generation optoelectronic devices that can overcome the voltage-time dilemma.

References in corpus (5)

• Coupling the valley degree of freedom to antiferromagnetic order
• First-principles study of the multi-mode anti-ferroelectric transition of PbZrO3
• Order-disorder transition in the prototypical antiferroelectric PbZrO${}_3$
• Anharmonic stabilization of ferrielectricity in CuInP${}_2$Se${}_6$
• Novel magnetoelectric effects via penta-linear interactions

Cited by in corpus (5)

• Interface-tuning of ferroelectricity and quadruple-well state in CuInP${}_2$S${}_6$ via ferroelectric oxide
• Anharmonic stabilization of ferrielectricity in CuInP${}_2$Se${}_6$
• Stress-Induced Transformations of Polarization Switching in CuInP${}_2$S${}_6$ Nanoparticles
• Flexocoupling-induced phonons and ferrons in van der Waals ferroelectrics
• The Influence of Electric Field on the Anisotropic Dispersion of the Flexocoupling Induced Phonons and Ferrons in Van der Waals Ferrielectrics