Thermal transport in composition graded silicene/germanene heterostructures

doi:10.1088/1674-1056/ad1500

中国物理B ›› 2024, Vol. 33 ›› Issue (4): 44402-044402.doi: 10.1088/1674-1056/ad1500

所属专题： SPECIAL TOPIC — Heat conduction and its related interdisciplinary areas

Thermal transport in composition graded silicene/germanene heterostructures

Zengqiang Cao(曹增强)^1,†, Chaoyu Wang(王超宇)^2,†, Honggang Zhang(张宏岗)³, Bo You(游波)², and Yuxiang Ni(倪宇翔)^1,‡

1 School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, China;
2 Department of Materials Science and the Advanced Coatings Research Center of the China Educational Ministry, Fudan University, Shanghai 200433, China;
3 Key Laboratory of High Performance Scientific Computation, School of Science, Xihua University, Chengdu 610039, China

收稿日期:2023-10-31 修回日期:2023-11-27 接受日期:2023-12-13 出版日期:2024-03-19 发布日期:2024-03-19
通讯作者: Yuxiang Ni E-mail:yuxiang.ni@swjtu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 12104291).

Thermal transport in composition graded silicene/germanene heterostructures

Zengqiang Cao(曹增强)^1,†, Chaoyu Wang(王超宇)^2,†, Honggang Zhang(张宏岗)³, Bo You(游波)², and Yuxiang Ni(倪宇翔)^1,‡

1 School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, China;
2 Department of Materials Science and the Advanced Coatings Research Center of the China Educational Ministry, Fudan University, Shanghai 200433, China;
3 Key Laboratory of High Performance Scientific Computation, School of Science, Xihua University, Chengdu 610039, China

Received:2023-10-31 Revised:2023-11-27 Accepted:2023-12-13 Online:2024-03-19 Published:2024-03-19
Contact: Yuxiang Ni E-mail:yuxiang.ni@swjtu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 12104291).

摘要/Abstract

摘要： Through equilibrium and non-equilibrium molecular dynamics simulations, we have demonstrated the inhibitory effect of composition graded interface on thermal transport behavior in lateral heterostructures. Specifically, we investigated the influence of composition gradient length and heterogeneous particles at the silicene/germanene (SIL/GER) heterostructure interface on heat conduction. Our results indicate that composition graded interface at the interface diminishes the thermal conductivity of the heterostructure, with a further reduction observed as the length increases, while the effect of the heterogeneous particles can be considered negligible. To unveil the influence of composition graded interface on thermal transport, we conducted phonon analysis and identified the presence of phonon localization within the interface composition graded region. Through these analyses, we have determined that the decrease in thermal conductivity is correlated with phonon localization within the heterostructure, where a stronger degree of phonon localization signifies poorer thermal conductivity in the material. Our research findings not only contribute to understanding the impact of interface gradient-induced phonon localization on thermal transport but also offer insights into the modulation of thermal conductivity in heterostructures.

关键词: composition graded interface, thermal transport, phonon localization, molecular dynamics

Abstract: Through equilibrium and non-equilibrium molecular dynamics simulations, we have demonstrated the inhibitory effect of composition graded interface on thermal transport behavior in lateral heterostructures. Specifically, we investigated the influence of composition gradient length and heterogeneous particles at the silicene/germanene (SIL/GER) heterostructure interface on heat conduction. Our results indicate that composition graded interface at the interface diminishes the thermal conductivity of the heterostructure, with a further reduction observed as the length increases, while the effect of the heterogeneous particles can be considered negligible. To unveil the influence of composition graded interface on thermal transport, we conducted phonon analysis and identified the presence of phonon localization within the interface composition graded region. Through these analyses, we have determined that the decrease in thermal conductivity is correlated with phonon localization within the heterostructure, where a stronger degree of phonon localization signifies poorer thermal conductivity in the material. Our research findings not only contribute to understanding the impact of interface gradient-induced phonon localization on thermal transport but also offer insights into the modulation of thermal conductivity in heterostructures.

Key words: composition graded interface, thermal transport, phonon localization, molecular dynamics

中图分类号: (Other topics in heat transfer)

44.90.+c

02.70.Ns (Molecular dynamics and particle methods) 74.78.Fk (Multilayers, superlattices, heterostructures) 29.50.+v (Computer interfaces)

Zengqiang Cao(曹增强), Chaoyu Wang(王超宇), Honggang Zhang(张宏岗), Bo You(游波), and Yuxiang Ni(倪宇翔). Thermal transport in composition graded silicene/germanene heterostructures[J]. 中国物理B, 2024, 33(4): 44402-044402.

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Thermal transport in composition graded silicene/germanene heterostructures

Thermal transport in composition graded silicene/germanene heterostructures

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