GeI2 monolayer: a model thermoelectric material from 300 to 600 K
Hu, Yan-Fei1; Yang, Jing1; Yuan, Yu-Quan1; Wang, Jun-Wen2
2019-12-10
Source PublicationPHILOSOPHICAL MAGAZINE
ISSN1478-6435
Status已发表
DOI10.1080/14786435.2019.1699670
AbstractIn this work, the electronic structure, optical properties and thermoelectric properties of the GeI2 monolayer are calculated by the first principles with the Boltzmann transport equation. The monolayer is calculated as an indirect band gap semiconductor with an indirect band gap of a value 2.19 eV. This GeI2 monolayer is good for absorbing low-energy photons, and it is insensitive to high-energy photons. The material is stable at temperatures up to 600 K, so we calculated the thermal conductivity (K-L), Seebeck coefficient (S), power factor (PF) and thermoelectric figure of merit (ZT) of the GeI2 monolayer at various carrier concentrations from 300 to 600 K. Due to the lower group velocity, the GeI2 monolayer has a lower thermal conductivity of 0.48 W/m K at 300K. In P-type doping, the power factor can up to 0.11 mW/m K-2, and its ZT value is 4.04 at 600 K of the GeI2 monolayer, indicating that the GeI2 monolayer is a potential thermoelectric material.
KeywordGeI2 monolayer thermoelectric material electronic structure optical properties first-principles calculation
Indexed BySCI
Language英语
Funding ProjectInnovation and Entrepreneurship Training Program of Sichuan University of Science Engineering[cx2019005]
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering ; Physics
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000501101500001
PublisherTAYLOR & FRANCIS LTD
EISSN1478-6443
WOS KeywordDENSITY-FUNCTIONAL THEORY ; INVERSION LAYER MOBILITY ; THERMAL-CONDUCTIVITY ; MOLECULAR-DYNAMICS ; SI MOSFETS ; PEROVSKITE ; GERMANIUM ; EFFICIENT ; SEMICONDUCTORS ; UNIVERSALITY
Original Document TypeArticle ; Early Access
Citation statistics
Cited Times [WOS]:0   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://kms.shanghaitech.edu.cn/handle/2MSLDSTB/104526
Collection物质科学与技术学院_硕士生
Corresponding AuthorHu, Yan-Fei
Affiliation1.Sichuan Univ Sci & Engn, Sch Phys & Elect Engn, Zigong 643000, Peoples R China
2.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai, Peoples R China
Recommended Citation
GB/T 7714
Hu, Yan-Fei,Yang, Jing,Yuan, Yu-Quan,et al. GeI2 monolayer: a model thermoelectric material from 300 to 600 K[J]. PHILOSOPHICAL MAGAZINE,2019.
APA Hu, Yan-Fei,Yang, Jing,Yuan, Yu-Quan,&Wang, Jun-Wen.(2019).GeI2 monolayer: a model thermoelectric material from 300 to 600 K.PHILOSOPHICAL MAGAZINE.
MLA Hu, Yan-Fei,et al."GeI2 monolayer: a model thermoelectric material from 300 to 600 K".PHILOSOPHICAL MAGAZINE (2019).
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