3‑X Structural Model and Common Characteristics of Anomalous Thermal Transport: The Case of Two-Dimensional Boron Carbides
3‑X Structural Model and Common Characteristics of Anomalous Thermal Transport: The Case of Two-Dimensional Boron Carbides
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3×X结构模型和反常热传输的共同特征：以二维碳化硼为例
DOI：
10.1021/acs.jpclett.1c03248
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Yifeng Duan
中科院分区：
文献类型：
--
作者：
Hanpu Liang;Hongzhen Zhong;Sheng Huang;Yifeng Duan
提高电子器件的可靠性需要有效的热管理，而其中的关键是热输运与温度的关系。受合成的T-碳和H-硼的启发，提出了3-X结构模型来统一二维（2D）多三角形材料。采用结构搜索，我们确定的3-X配置的稳定性在二维碳化硼作为3-9 BC 3单层，出乎意料的是，表现出线性的热导率与温度，而不是传统的热导率1/T的趋势。我们总结了这些共同的特性，并通过研究光学模式来探索为什么3-9 AlC 3和石墨烯中没有这种行为。我们表明，线性行为是一个直接后果的特殊振荡模式的3-X模型与最大的群速度。我们发现具有这种行为的2D材料通常具有相对较低的热导率。我们的工作为深入理解晶格热输运和拓宽纳米电子应用铺平了道路。
Improving the reliability of electronic devices requires effective heat management, and the key is the relationship between the thermal transport and temperature. Inspired by synthesized T-carbon and H-boron, the 3-X structural models are proposed to unify the two-dimensional (2D) multitriangle materials. Employing structural searches, we identify the stability of the 3-X configuration in 2D boron carbides as 3-9 BC3 monolayer, which, unexpectedly, exhibits a linear thermal conductivity versus temperature, not the traditional ∼1/T trend. We summarize the common characteristics and explore why this behavior is absent in 3-9 AlC3 and graphene via investigating the optical modes. We show that the linear behavior is a direct consequence of the special oscillation modes by the 3-X model associated with the largest group velocity. We find that 2D materials with such behavior usually share a relatively low thermal conductivity. Our work paves the way to deeply understand the lattice thermal transport and to widen nanoelectronic applications.