Understanding the Ising zigzag antiferromagnetism of FePS3 and FePSe3 monolayers

Ke Yang, Yueyue Ning, Yuxuan Zhou +5

This study investigates the spin-orbital states of FePS3 and FePSe3 monolayers and the origin of their Ising zigzag AFM, using DFT, crystal field level diagrams, superexchange anal…