Lattice instability in the charge density wave system
Phys. Rev. B 114, 214105 – Published 16 October, 2026
DOI: https://doi.org/10.1103/f3y8-f9jc
Abstract
Charge-density-wave (CDW) order in develops through a complex sequence of structural and electronic transitions. Using atomic pair distribution function analysis and large-scale structural modeling, we show that both compounds exhibit local lattice distortions dominated by locally static Pt displacements already present at room temperature, prior to the onset of long-range CDW order. Upon cooling, these distortions become progressively correlated and evolve into superstructures characterized by alternating short and long Pt-Pt distances, forming lattice modulations along different crystallographic directions. Our results suggest a predominantly order-disorder character of the higher-temperature second-order transitions, whereas the lower-temperature first-order transitions involve a significant additional displacive component, superimposed on the preexisting Pt displacements, and further reorganization of the CDW state. These findings establish a structural connection between intrinsic lattice instabilities and the development of long-range CDW order in and .