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    Intrinsically low thermal conductivity of stoichiometric lithium niobate: Experimental measurement and microscopic origin

    Wenjiang Zhou1,*, Fuwei Yang2,3,*, Yuxi Wang1, Weiheng Li1, Wujuan Yan1, Kexin Zhang4, and Bai Song1,2,†

    • *These authors contributed equally to this work.
    • †Contact author: songbai@pku.edu.cn

    Phys. Rev. Materials 10, 094607 – Published 15 September, 2026

    DOI: https://doi.org/10.1103/ww2h-mrg7

    Abstract

    With the rapid development of integrated electro-optic and nonlinear optical devices based on lithium niobate (LiNbO3, LN), thermal management is becoming a critical area of focus. However, experimental measurement of thermal transport in stoichiometric LiNbO3 (sLN) remains scarce, and the intrinsic microscopic mechanisms remain to be established. Here, we combine the laser pump-probe technique of frequency-domain thermoreflectance (FDTR) with state-of-the-art machine-learned atomistic simulations to comprehensively investigate thermal transport in sLN. The measured and simulated room-temperature thermal conductivity (κ) values of sLN agree well, which are orders of magnitude lower than those of many classic and emerging semiconductors such as silicon. Furthermore, the temperature-dependent κ exhibits T−α scaling with α near unity, suggesting that thermal transport is dominated by intrinsic phonon-phonon scattering. By comparing sLN with cubic boron arsenide (cBAs) which serves as an ultrahigh-κ benchmark, we reveal that harmonic properties are not responsible for the low κ of sLN, which feature phonon heat capacity and group velocities that are either higher than or comparable with those in cBAs. Instead, the low κ originates from substantially stronger anharmonicity and larger scattering phase space. These two factors collectively suppress phonon lifetimes by 1–2 orders of magnitude, leading to a maximum phonon mean free path of approximately 140 nm. As a result, notable size effects emerge in thin-film sLN below 1 µm, with κ dropping to half the bulk value at 10 nm. Altogether, our findings establish a fundamental understanding of thermal transport in sLN and provide atomistic insights for thermal management in advanced lithium niobate technologies.

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