Strong anisotropy of thermal transport in the monolayer of a new puckered phase of PdSe

IF 6.5 2区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Frontiers of Physics Pub Date : 2023-12-11 DOI:10.1007/s11467-023-1354-7
Zheng Shu, Huifang Xu, Hejin Yan, Yongqing Cai
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Abstract

We examine the electronic and transport properties of a new phase PdSe monolayer with a puckered structure calculated by first-principles and Boltzmann transport equation. The spin–orbit coupling is found to play a negligible effect on the electronic properties of PdSe monolayer. The lattice thermal conductivity of PdSe monolayer exhibits remarkable anisotropic characteristic due to anisotropic phonon group velocity along different directions and its intrinsic structure anisotropy. The compromised electronic mobility despite a relatively low thermal conduction results in a moderate ZT value but significantly anisotropic thermoelectric performance in single-layer PdSe. The present work suggests that the remarkable thermal transport anisotropy of PdSe monolayer can be used for thermal management, and enhance the scope of possibilities for heat flow manipulation in PdSe based devices. The sizeable puckered cages and wiggling lattice implies it an ideal platform for ionic and molecular engineering for thermoelectronic applications.

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钯硒新皱褶相单层热传输的强各向异性
我们研究了通过第一原理和玻尔兹曼输运方程计算的具有皱褶结构的新相钯硒单层的电子和输运性质。研究发现,自旋轨道耦合对钯硒单层的电子特性影响微乎其微。由于各向异性的声子群速度及其固有结构的各向异性,PdSe 单层的晶格热导率表现出显著的各向异性特征。尽管热传导率相对较低,但电子迁移率却受到了影响,因此单层硒化钯的 ZT 值适中,但热电性能却明显各向异性。本研究表明,单层硒化钯的显著热传输各向异性可用于热管理,并提高基于硒化钯的器件中热流操纵的可能性。巨大的皱褶笼子和摆动的晶格意味着它是热电子应用中离子和分子工程的理想平台。
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来源期刊
Frontiers of Physics
Frontiers of Physics PHYSICS, MULTIDISCIPLINARY-
CiteScore
9.20
自引率
9.30%
发文量
898
审稿时长
6-12 weeks
期刊介绍: Frontiers of Physics is an international peer-reviewed journal dedicated to showcasing the latest advancements and significant progress in various research areas within the field of physics. The journal's scope is broad, covering a range of topics that include: Quantum computation and quantum information Atomic, molecular, and optical physics Condensed matter physics, material sciences, and interdisciplinary research Particle, nuclear physics, astrophysics, and cosmology The journal's mission is to highlight frontier achievements, hot topics, and cross-disciplinary points in physics, facilitating communication and idea exchange among physicists both in China and internationally. It serves as a platform for researchers to share their findings and insights, fostering collaboration and innovation across different areas of physics.
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