Ordering/displacive ferrielectricity in 2D CuInP${}_2$S${}_6$

Yulian Vysochanskii, Vitalii Liubachko, Konstantin Glukhov +5

Using DFT-based molecular dynamics simulation of Cu${}^{+}$ cations flipping and In${}^{3+}$ cations displacive dynamics, we clarify the dipole ordering of CuInP${}_2$S${}_6$ ferrielectrics…