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Achieving high thermoelectric performance requires efficient manipulation of thermal conductivity and a fundamental understanding of the microscopic mechanisms of phonon transport in crystalline solids. One of the major challenges in…

Materials Science · Physics 2023-05-18 Jiaoyue Yuan , Yubi Chen , Bolin Liao

We present a comparative investigation of the influence of crystallinity and film thickness on the acoustic and thermal properties of 2D layered PtSe2 thin films of varying thickness (0.6-24 nm) by combining a set of experimental…

Following the emergence of many novel two-dimensional (2-D) materials beyond graphene, interest has grown in exploring implications for fundamental physics and practical applications, ranging from electronics, photonics, phononics, to…

Materials Science · Physics 2018-12-05 Xiaokun Gu , Yujie Wei , Xiaobo Yin , Baowen Li , Ronggui Yang

Alkali metal-based compounds have garnered significant attention due to their exceptionally low lattice thermal conductivity, which is crucial for applications in thermoelectric energy conversion and thermal barrier coatings. However, the…

Materials Science · Physics 2025-07-30 Tiantian Jia , Yongsen Tang , Yongsheng Zhang

Fundamental insight into lattice dynamics and phonon transport is critical to the efficient manipulation of heat flow, which is one of the appealing thermophysical problems with enormous practical implications. Phosphorene, a novel…

Materials Science · Physics 2018-01-16 Guangzhao Qin , Ming Hu

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 crystalline material AgTl$_2$I$_3$ with an exceptionally low thermal…

Materials Science · Physics 2025-05-14 Ruihuan Cheng , Chen Wang , Niuchang Ouyang , Xingchen Shen , Yue Chen

Two-dimensional (2D) metallic systems with intrinsically low lattice thermal conductivity are rare, yet they are of great interest for next-generation energy and electronic technologies. Here, we present a comprehensive first-principles…

The high susceptibility of ultrathin two-dimensional (2D) material resonators to force and temperature makes them ideal systems for sensing applications and exploring thermomechanical coupling. Although the dynamics of these systems at high…

Mesoscale and Nanoscale Physics · Physics 2023-12-11 Hanqing Liu , Gabriele Baglioni , Carla B. Constant , Herre S. J. van der Zant , Peter G. Steeneken , Gerard J. Verbiest

Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simulations to evaluate both the specific heat of $MoS_{2}$ as…

Mesoscale and Nanoscale Physics · Physics 2019-08-02 Saurabh V. Suryavanshi , Alexander J. Gabourie , Amir Barati Farimani , Eric Pop

The search for materials with intrinsically low thermal conductivity ($\kappa_L$) is critical for energy applications, yet conventional descriptors often fail to capture the complex interplay between bonding and lattice dynamics. Here,…

Materials Science · Physics 2025-11-17 Xuejie Li , Yuzhou Hao , Yujie Liu , Shengying Yue , Xiaolong Yang , Turab Lookman , Xiangdong Ding , Jun Sun , Zhibin Gao

Phonon scattering by electrons, or "phonon-electron scattering", has been recognized as a significant scattering channel for phonons in materials with high electron concentration, such as thermoelectrics and nanoelectronics, even at room…

Materials Science · Physics 2019-09-11 Sheng-Ying Yue , Runqing Yang , Bolin Liao

Understanding the microscopic processes affecting the bulk thermal conductivity is crucial to develop more efficient thermoelectric materials. PbTe is currently one of the leading thermoelectric materials, largely thanks to its low thermal…

Materials Science · Physics 2011-06-07 O. Delaire , J. Ma , K. Marty , A. F. May , M. A. McGuire , M. -H. Du , D. J. Singh , A. Podlesnyak , G. Ehlers , M. Lumsden , B. C. Sales

In this study, we systematically investigate the thermal and electronic transport properties of two-dimensional PbSe/PbTe monolayer heterostructure by combining first-principles calculations, Boltzmann transport theory, and machine learning…

Materials Science · Physics 2026-02-27 Ruihao Tan , Kaiwang Zhang , Yue-Wen Fang

Semiconductors with very low lattice thermal conductivities are highly desired for applications relevant to thermal energy conversion and management, such as thermoelectrics and thermal barrier coatings. Although the crystal structure and…

Materials Science · Physics 2021-07-13 Jiangang He , Yi Xia , Wenwen Lin , Koushik Pal , Yizhou Zhu , Mercouri G. Kanatzidis , Chris Wolverton

In the design of materials with low lattice thermal conductivity, compounds with high density, low speed of sound, and complexity at either the atomic, nano- or microstructural level are preferred. The layered compound Mg$_3$Sb$_2$ defies…

Materials Science · Physics 2018-04-05 Wanyue Peng , Guido Petretto , Gian-Marco Rignanese , Geoffroy Hautier , Alexandra Zevalkink

The microscopic physics behind low lattice thermal conductivity of single crystal rocksalt lead telluride (PbTe) is investigated. Mode-dependent phonon (normal and umklapp) scattering rates and their impact on thermal conductivity were…

Low thermal conductivity is favorable for preserving the temperature gradient between the two ends of a thermoelectric material in order to ensure continuous electron current generation. In high-performance thermoelectric materials, there…

Within the framework of the unified theory thermal transport model, the competing contributions of coherent and incoherent terms create a trade-off relationship, posing substantial challenges to achieving a reduction in overall $\rm…

Materials Science · Physics 2025-04-04 Wenjie Xiong , Hao Huang , Yu Wu , Xinji Xu , Geng Li , Zonglin Gu , Shuming Zeng

Two-dimensional (2D) semimetals beyond graphene have been relatively unexplored in the atomically-thin limit. Here we introduce a facile growth mechanism for semimetallic WTe2 crystals, then fabricate few-layer test structures while…

Materials Science · Physics 2016-08-04 Michal J. Mleczko , Runjie , Xu , Kye Okabe , Hsueh-Hui Kuo , Ian R. Fisher , H. -S. Philip Wong , Yoshio Nishi , Eric Pop

The study of heat transport in two-dimensional (2D) materials reveals novel behaviors due to quantum confinement effects, where in-plane and out-of-plane phonons play crucial roles. In 2D materials like graphene, it is widely recognized…

Mesoscale and Nanoscale Physics · Physics 2024-12-10 H. F. Feng , B. Liu , J. L. Bai , X. Zhang , Z. X. Song , Zhi-Xin Guo
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