- Letter
Two-dimensional multiferroics in a breathing kagome lattice
Phys. Rev. B 104, L060405 – Published 5 August, 2021
DOI: https://doi.org/10.1103/PhysRevB.104.L060405
Abstract
Geometric frustrated kagome systems can show complex and exotic magnetic properties. We theoretically predict ways in which these can be manipulated in two-dimensional (2D) multiferroic materials from first-principles density functional theory calculations. We propose that ( or I) compounds are shown to form 2D intrinsic semiconductors with breathing kagome lattices containing coexisting ferroelectric (FE) and ferromagnetic ordering. Inside the lattice, Ti atoms distort from high-symmetry locations to produce trimers with shorter interatomic distances that form the basis of local cluster magnets. Lattice breathing interchanges trimer patterns, switching the direction of out-of-plane FE polarization while simultaneously rearranging the interactions between the cluster magnets. FE switching of the monolayer , which is concomitant with the direction reversal of the vector of the Dzyaloshinskii-Moriya interaction, is feasible to be manipulated by the application of out-of-plane electric fields. Through the interlayer interaction, the coupling of FE and magnetism is achieved in bilayer . The magnetic configurations are transformed between interlayer ferromagnetism and antiferromagnetism by switching the FE polarization directions of bilayer . Our findings expand the arena for realizing 2D multiferroics and magnetoelectric effect.