钯硒新皱褶相单层热传输的强各向异性

IF 6.5 2区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY
Zheng Shu, Huifang Xu, Hejin Yan, Yongqing Cai
{"title":"钯硒新皱褶相单层热传输的强各向异性","authors":"Zheng Shu,&nbsp;Huifang Xu,&nbsp;Hejin Yan,&nbsp;Yongqing Cai","doi":"10.1007/s11467-023-1354-7","DOIUrl":null,"url":null,"abstract":"<div><p>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 <i>ZT</i> 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.\n</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":573,"journal":{"name":"Frontiers of Physics","volume":"19 3","pages":""},"PeriodicalIF":6.5000,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Strong anisotropy of thermal transport in the monolayer of a new puckered phase of PdSe\",\"authors\":\"Zheng Shu,&nbsp;Huifang Xu,&nbsp;Hejin Yan,&nbsp;Yongqing Cai\",\"doi\":\"10.1007/s11467-023-1354-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>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 <i>ZT</i> 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.\\n</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>\",\"PeriodicalId\":573,\"journal\":{\"name\":\"Frontiers of Physics\",\"volume\":\"19 3\",\"pages\":\"\"},\"PeriodicalIF\":6.5000,\"publicationDate\":\"2023-12-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Frontiers of Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11467-023-1354-7\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Frontiers of Physics","FirstCategoryId":"101","ListUrlMain":"https://link.springer.com/article/10.1007/s11467-023-1354-7","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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

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

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.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信