Pressure effects on the anomalous thermal transport and anharmonic lattice dynamics of CsX (X = Cl, Br, and I)

Li, Shasha; Zeng, Zhaoliang; Pu, Yong; Chen, Yue

doi:10.1039/d2cp05308j

Phys. Chem. Chem. Phys.

2022

DOI: 10.1039/d2cp05308j

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Pressure effects on the anomalous thermal transport and anharmonic lattice dynamics of CsX (X = Cl, Br, and I)

Shasha Li

Zhaoliang Zeng

Yong Pu

et al.

Abstract: The lattice thermal conductivity of CsX (X = Cl, Br, I) and its pressure dependence are investigated using first-principles third-order anharmonic force constants. Contrary to the expectation that compounds with...

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2024

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Revisiting lattice thermal conductivity of CsCl: The crucial role of quartic anharmonicity

Wang,

Feng,

Xia

et al. 2024

Applied Physics Letters

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Thermal conductivity (κL) plays a critical role in thermal management applications. Usually, crystals with simpler structures exhibit higher κL due to fewer phonon scatterings. However, cesium chloride (CsCl) presents an anomaly, demonstrating an unexpectedly low κL of 1.0 W m−1 K−1 at 300 K, as observed in Professor Iversen's experimental measurement despite its simple structure. This prompts a need for understanding anomalous low κL and matching theory with experimental observations. Our study brings forth several findings for CsCl: (i) relying solely on three-phonon scattering inadequately captures κL. (ii) Anharmonic phonon renormalization significantly contributes to increased κL. (iii) Coherent phonons align temperature-dependent κL closely with the experiment. This work not only enhances understanding of anomalous κL in CsCl but also provides an approach to bridge the gap between experiment and theory in other crystals.

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Revisiting lattice thermal conductivity of CsCl: The crucial role of quartic anharmonicity

Wang,

Feng,

Xia

et al. 2024

Applied Physics Letters

View full text Add to dashboard Cite

show abstract

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Pressure effects on the anomalous thermal transport and anharmonic lattice dynamics of CsX (X = Cl, Br, and I)

Abstract: The lattice thermal conductivity of CsX (X = Cl, Br, I) and its pressure dependence are investigated using first-principles third-order anharmonic force constants. Contrary to the expectation that compounds with...

Cited by 1 publication

References 36 publications

Revisiting lattice thermal conductivity of CsCl: The crucial role of quartic anharmonicity

Revisiting lattice thermal conductivity of CsCl: The crucial role of quartic anharmonicity

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