V2Se2O and Janus V2SeTeO: Monolayer altermagnets for the thermoelectric recovery of low-temperature waste heat

IF 31.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Shubham Singh, Paresh C. Rout, Mohammed Ghadiyali, Udo Schwingenschlögl
{"title":"V2Se2O and Janus V2SeTeO: Monolayer altermagnets for the thermoelectric recovery of low-temperature waste heat","authors":"Shubham Singh,&nbsp;Paresh C. Rout,&nbsp;Mohammed Ghadiyali,&nbsp;Udo Schwingenschlögl","doi":"10.1016/j.mser.2025.101017","DOIUrl":null,"url":null,"abstract":"<div><div>We determine the thermoelectric properties of the V<sub>2</sub>Se<sub>2</sub>O and Janus V<sub>2</sub>SeTeO monolayer altermagnets with narrow direct band gaps of 0.74 and 0.26 eV, respectively. Monte Carlo simulations reveal Néel temperatures of 800 K for V<sub>2</sub>Se<sub>2</sub>O and 525 K for Janus V<sub>2</sub>SeTeO. The electrical conductivity is higher for <em>p</em>-type charge carriers than for <em>n</em>-type charge carriers due to lower effective masses. The presence of heavy Te atoms in Janus V<sub>2</sub>SeTeO results in lower phonon group velocities, higher phonon scattering rates, and higher lattice anharmonicity than in the case of V<sub>2</sub>Se<sub>2</sub>O, leading to an almost 19-fold reduction of the lattice thermal conductivity at 300 K. The thermoelectric figure of merit of V<sub>2</sub>Se<sub>2</sub>O reaches 0.4 (0.1) and that of Janus V<sub>2</sub>SeTeO reaches 2.7 (1.0) just below the Néel temperature at the optimal <em>p</em>-type (<em>n</em>-type) charge carrier density, demonstrating that altermagnets have excellent potential in the thermoelectric recovery of low-temperature waste heat.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101017"},"PeriodicalIF":31.6000,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials Science and Engineering: R: Reports","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927796X25000944","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

We determine the thermoelectric properties of the V2Se2O and Janus V2SeTeO monolayer altermagnets with narrow direct band gaps of 0.74 and 0.26 eV, respectively. Monte Carlo simulations reveal Néel temperatures of 800 K for V2Se2O and 525 K for Janus V2SeTeO. The electrical conductivity is higher for p-type charge carriers than for n-type charge carriers due to lower effective masses. The presence of heavy Te atoms in Janus V2SeTeO results in lower phonon group velocities, higher phonon scattering rates, and higher lattice anharmonicity than in the case of V2Se2O, leading to an almost 19-fold reduction of the lattice thermal conductivity at 300 K. The thermoelectric figure of merit of V2Se2O reaches 0.4 (0.1) and that of Janus V2SeTeO reaches 2.7 (1.0) just below the Néel temperature at the optimal p-type (n-type) charge carrier density, demonstrating that altermagnets have excellent potential in the thermoelectric recovery of low-temperature waste heat.
V2Se2O和Janus V2SeTeO:用于低温废热热电回收的单层交替磁体
我们测定了V2Se2O和Janus V2SeTeO单层交替磁体的热电性能,它们的直接带隙分别为0.74和0.26 eV。蒙特卡罗模拟显示,V2Se2O的n温度为800 K, Janus V2SeTeO的温度为525 K。由于有效质量较低,p型载流子的电导率高于n型载流子。与V2Se2O相比,重Te原子在Janus V2SeTeO中的存在导致了更低的声子群速度、更高的声子散射率和更高的晶格非调和性,导致300 K时晶格热导率降低了近19倍。在最佳p型(n型)载流子密度下,V2Se2O的热电优值达到0.4 (0.1),Janus的V2SeTeO的热电优值达到2.7(1.0),正好低于nsamel温度,表明交替磁体在低温余热热电回收方面具有良好的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Materials Science and Engineering: R: Reports
Materials Science and Engineering: R: Reports 工程技术-材料科学:综合
CiteScore
60.50
自引率
0.30%
发文量
19
审稿时长
34 days
期刊介绍: Materials Science & Engineering R: Reports is a journal that covers a wide range of topics in the field of materials science and engineering. It publishes both experimental and theoretical research papers, providing background information and critical assessments on various topics. The journal aims to publish high-quality and novel research papers and reviews. The subject areas covered by the journal include Materials Science (General), Electronic Materials, Optical Materials, and Magnetic Materials. In addition to regular issues, the journal also publishes special issues on key themes in the field of materials science, including Energy Materials, Materials for Health, Materials Discovery, Innovation for High Value Manufacturing, and Sustainable Materials development.
×
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:604180095
Book学术官方微信