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20242026
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cond-mat.mtrl-sci2026

Approaching the Limit of Intrinsic Crystalline Thermal Insulation

Ruihuan Cheng, Zhiqiang Cui, Mani Jayaraman +9

Crystalline materials with ultralow thermal conductivity () are potential thermal barrier coatings or thermoelectrics, yet the discovery of ultralow- materials remains inef…

cond-mat.mtrl-sci2025

Accelerated Discovery of Crystalline Materials with Record Ultralow Lattice Thermal Conductivity via a Universal Descriptor

Xingchen Shen, Jiongzhi Zheng, Michael Marek Koza +9

Ultralow glass-like lattice thermal conductivity in crystalline materials is crucial for enhancing energy conversion efficiency in thermoelectrics and thermal insulators. We introd…

cond-mat.mtrl-sci2025

Diffuson-Dominated Thermal Transport Crossover from Ordered to Liquid-like CuBiS:The Negligible Role of Ion Hopping

Jincheng Yue, Jiongzhi Zheng, Xingchen Shen +7

Fundamentally understanding lattice dynamics and thermal transport behavior in liquid-like, partially occupied compounds remains a long-standing challenge in condensed matter physi…

cond-mat.mtrl-sci2025

Strong Crystalline Thermal Insulation Induced by Extended Antibonding States

Ruihuan Cheng, Chen Wang, Niuchang Ouyang +2

Crystalline solids with extreme insulation often exhibit a plateau or even an upward-sloping tail in thermal conductivity above room temperature. Herein, we synthesized a crystalli…

cond-mat.mtrl-sci2024

Realizing Intrinsically Glass-like Thermal Transport via Weakening the Ag-Ag Bonds in Ag Octahedra

Xingchen Shen, Zhonghao Xia, Jun Zhou +4

Crystals exhibiting glass-like and low lattice thermal conductivity () are not only scientifically intriguing but also practically valuable in various applications, inc…

cond-mat.mtrl-sci2024

Hierarchical Characterization of Thermoelectric Performance in Copper-Based Chalcogenide CsCuS: Unveiling the role of Anharmonic Lattice Dynamics

Jincheng Yue, Jiongzhi Zheng, Junda Li +4

We explicitly consider both phonon energy shifts and broadening arising from both cubic and quartic anharmonicities, as well as diagonal/non-diagonal terms of heat flux operators i…