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Ultralow lattice thermal conductivity and enhanced thermoelectric performance in the AgKTe monolayer induced by four-phonon scattering

文献类型：期刊论文

作者Meng, Qiong1; Yang, Chuan-Lu1,2; Li, Xiaohu2,3,4; Liu, Yuliang1; Zhao, Wenkai1; Gao, Feng5,6
刊名PHYSICAL CHEMISTRY CHEMICAL PHYSICS
出版日期2025-09-18
卷号27期号:36页码:19399-19409
ISSN号1463-9076
DOI10.1039/d5cp02355f
产权排序3
英文摘要The lattice thermal conductivity (kappa l) for the AgKTe monolayer is obtained using the second-, third-, and fourth-order interatomic force constants by machine learning methods. Remarkably, the inclusion of four-phonon (4ph) scattering processes leads to a significant reduction-by approximately 50-66%-in the kappa l value compared to calculations considering only three-phonon (3ph) processes. Consequently, an ultralow kappa l value of 0.03 W m-1 K-1 is achieved along the x and y directions, respectively, at 600 K, placing AgKTe among the 2D materials with the lowest known thermal conductivities. This highlights the pivotal role of 4ph scattering in suppressing phonon transport. Moreover, a highly degenerate valence band substantially boosts the power factor of p-type carriers. Benefiting from both the reduced kappa l and enhanced electronic transport, the AgKTe monolayer achieves a high thermoelectric figure of merit (ZT) of 3.87 at 600 K and intrinsic carrier concentrations. By revealing the dominance of 4ph scattering in kappa l, this work not only suggests AgKTe as a viable thermoelectric candidate but also deepens the understanding of thermal behavior in low-dimensional structures.
WOS关键词CRYSTALS ; DYNAMICS
资助项目National Natural Science Foundation of China[12374232] ; National Natural Science Foundation of China[12473025] ; National Natural Science Foundation of China[2023] ; National Natural Science Foundation of China
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:001563235700001
出版者ROYAL SOC CHEMISTRY
资助机构National Natural Science Foundation of China ; National Natural Science Foundation of China
源URL[http://ir.xao.ac.cn/handle/45760611-7/8114]  
专题天体化学研究团组
通讯作者Yang, Chuan-Lu
作者单位1.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China
2.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China
3.Xinjiang Key Lab Radio Astrophys, Urumqi 830011, Xinjiang, Peoples R China
4.Chinese Acad Sci, Key Lab Radio Astron & Technol, Beijing 100101, Peoples R China
5.Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA
6.A&M Coll, Baton Rouge, LA 70813 USA
推荐引用方式
GB/T 7714		 Meng, Qiong,Yang, Chuan-Lu,Li, Xiaohu,et al. Ultralow lattice thermal conductivity and enhanced thermoelectric performance in the AgKTe monolayer induced by four-phonon scattering[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2025,27(36):19399-19409.
APA Meng, Qiong,Yang, Chuan-Lu,Li, Xiaohu,Liu, Yuliang,Zhao, Wenkai,&Gao, Feng.(2025).Ultralow lattice thermal conductivity and enhanced thermoelectric performance in the AgKTe monolayer induced by four-phonon scattering.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,27(36),19399-19409.
MLA Meng, Qiong,et al."Ultralow lattice thermal conductivity and enhanced thermoelectric performance in the AgKTe monolayer induced by four-phonon scattering".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 27.36(2025):19399-19409.

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来源：新疆天文台

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