{"title":"钯硒新皱褶相单层热传输的强各向异性","authors":"Zheng Shu, Huifang Xu, Hejin Yan, 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":null,"pages":null},"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, Huifang Xu, Hejin Yan, 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\":null,\"pages\":null},\"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}
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.
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.