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    Lattice instability in the charge density wave system RPt2Si2 (R=Pr, Nd)

    V. Petkov1,*, A. Zafar1, M. Jakhar2, L. Gallington3, P. Kenesei3, and S. D. Shastri3

    • *Contact author: petko1vg@cmich.edu

    Phys. Rev. B 114, 214105 – Published 16 October, 2026

    DOI: https://doi.org/10.1103/f3y8-f9jc

    Abstract

    Charge-density-wave (CDW) order in RPt2Si2 (R=Pr, Nd) 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 PrPt2Si2 and NdPt2Si2.

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