Year: 2026
Type: article
Abstract: ABSTRACT CuCrP 2 S 6 is a van der Waals multiferroic where the tunable Cu + sublattice underpins its exceptional ferroelectric and electronic switching properties. Yet, the microscopic mechanism governing Cu + ordering has remained elusive. Here, we combine single‐crystal X‐ray and neutron diffraction with pair distribution function analysis to uncover a temperature‐driven evolution of Cu + ordering, giving rise to an incommensurate quasi‐antipolar phase between the paraelectric and antiferroelectric states. The modulation originates from correlated Cu + occupancy redistribution coupled to breathing distortion of surrounding S 3 triangles, establishing a symmetry‐adapted lattice distortion mode. Diffuse scattering persisting over 35 K above the transition confirms that the structural instability follows an order‐disorder mechanism. The spontaneous off‐centering of Cu + positions CuCrP 2 S 6 as a model platform for correlated order‐disorder phenomena in 2D layered ferroics, and provides design principles for next‐generation memory and logic devices.
Source: Advanced Science
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $6,730
Funders: U.S. Department of Energy, Battelle, UT-Battelle, Asian Office of Aerospace Research and Development, National Science and Technology Council, Office of Science, Air Force Office of Scientific Research, Oak Ridge National Laboratory, Air Force Research Laboratory, Materials and Manufacturing Directorate
OpenAlex ID: W7127586196