English

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

Materials Science 2022-02-08 v3

Abstract

Using first-principles calculations and group-theory based models, we study the stabilization of ferrielectricity (FiE) in CuInP2_2Se6_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.

Keywords

Cite

@article{arxiv.2106.08783,
  title  = {Anharmonic stabilization of ferrielectricity in CuInP$_2$Se$_6$},
  author = {Nikhil Sivadas and Peter Doak and P. Ganesh},
  journal= {arXiv preprint arXiv:2106.08783},
  year   = {2022}
}