Speaker
Description
Transition-metal phosphorus trisulfides (TMPS₃) are van der Waals antiferromagnets with various magnetic ground states, providing a platform for studying two-dimensional magnetism [1,2]. The compound CuCrP₂S₆ exhibits additional ferro-/antiferroelectric order caused by a vertical shift of the Cu atoms and magnetoelectric coupling [2].
Here, we investigate the temperature-dependent electronic structure of CuCrP₂S₆ using micro-scale angle-resolved photoelectron spectroscopy (μ-ARPES) between 300 K and 15 K. The measured band structure is compared with density functional theory (DFT) calculations. Across the antiferroelectric transition, we observe a shift of Cu-derived bands at the Γ point.
DFT calculations for different Cu positions reveal corresponding changes in the density of states (DOS) at the same binding energy, linking the observed electronic structure modifications to the antiferroelectric displacement of Cu atoms.