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    Incipient ferroelectric behavior and structural phase transitions in two-dimensional layered TlGaS2

    A. D. Molchanova1, L. H. Yin2,*, L. P. Gao2, W. H. Song2, Y. P. Sun2,3, K. R. Allahverdiyev4, and M. N. Popova1,†

    • *Contact author: lhyin@issp.ac.cn
    • †Contact author: popova@isan.troitsk.ru

    Phys. Rev. B 114, 185408 – Published 4 September, 2026

    DOI: https://doi.org/10.1103/82bg-5mt2

    Abstract

    The coexistence of out-of-plane and in-plane electric polarization is rare in two-dimensional (2D) ferroelectric materials, yet the two configurations offer distinct advantages for ferroelectric-based devices. Here, we report the coexistence of in-plane and out-of-plane incipient ferroelectricity, along with various phase transitions, in 2D van der Waals layered TlGaS2 single crystal. Detailed investigation of the incipient ferroelectric soft-mode behavior reveals a close correlation between the incipient ferroelectricity and the off-center displacement of Tl1+ ions with 6s2 lone pairs in TlGaS2. Anomalies near temperatures of about 75, 120, 180, and 220 K in infrared spectra, together with the absence of anomalies in the temperature-dependent specific heat, indicate the existence of local or weak long-range structural transitions in TlGaS2. Our results provide important experimental evidence for elucidating the phase transitions and coexistence of in-plane and out-of-plane incipient ferroelectricity in 2D layered TlGaS2.

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