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Effect of four-phonon scattering on the intrinsic thermal conductivity of penta-graphene

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成果类型:
期刊论文
作者:
Liu, Geng-Hua;Xie, Zhong-Xiang;Jia, Pin-Zhen;Wu, Xi-Jun*;Chen, Xue-Kun
通讯作者:
Jia, PZ;Wu, Xi-Jun;Chen, XK
作者机构:
[Liu, Geng-Hua] Hunan Inst Traff Engn, Hengyang 421001, Hunan, Peoples R China.
[Xie, Zhong-Xiang; Jia, Pin-Zhen; Jia, PZ] Hunan Inst Technol, Sch Sci, Hengyang 421002, Peoples R China.
[Chen, Xue-Kun; Wu, Xi-Jun; Wu, XJ] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.
通讯机构:
[Chen, XK ; Wu, XJ] U
[Jia, PZ ] H
Hunan Inst Technol, Sch Sci, Hengyang 421002, Peoples R China.
Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.
语种:
英文
关键词:
First-principles;Four-phonon scattering;Penta-graphene;Thermal conductivity
期刊:
Diamond and Related Materials
ISSN:
0925-9635
年:
2023
卷:
137
页码:
110116
基金类别:
This work was supported by the National Natural Science Foundation of China (No. 11904161 ), the Natural Science Foundation of Hunan Province (No. 2023JJ40248 ), by the Scientific Research Fund of Hunan Provincial Education Department (Nos. 21B0401 , 22B0868 and 22C0942 ). The computational work was supported by the HPC Center of University of South China.
机构署名:
本校为通讯机构
院系归属:
数理学院
摘要:
Penta-graphene (PG), as a novel and stable pentagonal structure, has attracted considerable attention due to its large band gap, ultrahigh strength, negative Poisson's ratio, which indicates promising potential in nanoelectronics and nanomechanics. Thermal conductivity is a key physical quantity for the potential applications of PG based nano-devices. However, previous studies focused on the thermal conductivity of PG dominated by the well-known cubic anharmonic effect, and the quartic anharmonicity, although probably significant, was still neglected. In this work, we study the effect of four-...

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