{"title":"关于 Janus In2Ge2Te6 双电层晶格导热性的第一原理研究","authors":"Wei Ding, Songwen Tian, Yankun Shen, Shijie Yang, Jingze Wang, Ziyang Yuan, Zheng Zhai","doi":"10.1134/s1063783424600535","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer exhibit the potential for low thermal conductivity due to their complex geometry and large atomic mass contrast. The results demonstrate that the intersection of the low-frequency optical branch and the longitudinal acoustic phonon branch (LA) within the Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer structure, combined with a larger average atomic mass, leads to a smaller phonon group velocity, a higher phonon scattering rate, a lower phonon relaxation time, and a stronger anharmonicity. These factors contribute to the lower thermal conductivity of the Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer. The Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer structure exhibits a maximum and minimum lattice thermal conductivity of about 0.35 and 0.1 W/(m K) at 300 and 1000 K, respectively.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":null,"pages":null},"PeriodicalIF":0.9000,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"First-principles Study on the Lattice Thermal Conductivity of Janus In2Ge2Te6 Bilayer\",\"authors\":\"Wei Ding, Songwen Tian, Yankun Shen, Shijie Yang, Jingze Wang, Ziyang Yuan, Zheng Zhai\",\"doi\":\"10.1134/s1063783424600535\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<h3 data-test=\\\"abstract-sub-heading\\\">Abstract</h3><p>Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer exhibit the potential for low thermal conductivity due to their complex geometry and large atomic mass contrast. The results demonstrate that the intersection of the low-frequency optical branch and the longitudinal acoustic phonon branch (LA) within the Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer structure, combined with a larger average atomic mass, leads to a smaller phonon group velocity, a higher phonon scattering rate, a lower phonon relaxation time, and a stronger anharmonicity. These factors contribute to the lower thermal conductivity of the Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer. The Janus In<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> bilayer structure exhibits a maximum and minimum lattice thermal conductivity of about 0.35 and 0.1 W/(m K) at 300 and 1000 K, respectively.</p>\",\"PeriodicalId\":731,\"journal\":{\"name\":\"Physics of the Solid State\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.9000,\"publicationDate\":\"2024-05-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physics of the Solid State\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1134/s1063783424600535\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, CONDENSED MATTER\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physics of the Solid State","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1134/s1063783424600535","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
First-principles Study on the Lattice Thermal Conductivity of Janus In2Ge2Te6 Bilayer
Abstract
Janus In2Ge2Te6 bilayer exhibit the potential for low thermal conductivity due to their complex geometry and large atomic mass contrast. The results demonstrate that the intersection of the low-frequency optical branch and the longitudinal acoustic phonon branch (LA) within the Janus In2Ge2Te6 bilayer structure, combined with a larger average atomic mass, leads to a smaller phonon group velocity, a higher phonon scattering rate, a lower phonon relaxation time, and a stronger anharmonicity. These factors contribute to the lower thermal conductivity of the Janus In2Ge2Te6 bilayer. The Janus In2Ge2Te6 bilayer structure exhibits a maximum and minimum lattice thermal conductivity of about 0.35 and 0.1 W/(m K) at 300 and 1000 K, respectively.
期刊介绍：
Presents the latest results from Russia’s leading researchers in condensed matter physics at the Russian Academy of Sciences and other prestigious institutions. Covers all areas of solid state physics including solid state optics, solid state acoustics, electronic and vibrational spectra, phase transitions, ferroelectricity, magnetism, and superconductivity. Also presents review papers on the most important problems in solid state physics.
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