GeI2 monolayer: a model thermoelectric material from 300 to 600 K

doi:10.1080/14786435.2019.1699670

	GeI2 monolayer: a model thermoelectric material from 300 to 600 K
	Hu, Yan-Fei 1; Yang, Jing 1; Yuan, Yu-Quan 1; Wang, Jun-Wen2
	2019-12-10
发表期刊	PHILOSOPHICAL MAGAZINE
ISSN	1478-6435
EISSN	1478-6443
发表状态	已发表
DOI	10.1080/14786435.2019.1699670
摘要	In 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.
关键词	GeI2 monolayer thermoelectric material electronic structure optical properties first-principles calculation
收录类别	SCI ; SCIE ; EI
语种	英语
资助项目	Innovation and Entrepreneurship Training Program of Sichuan University of Science Engineering[cx2019005]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering ; Physics
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:000501101500001
出版者	TAYLOR & FRANCIS LTD
WOS关键词	DENSITY-FUNCTIONAL THEORY ; INVERSION LAYER MOBILITY ; THERMAL-CONDUCTIVITY ; MOLECULAR-DYNAMICS ; SI MOSFETS ; PEROVSKITE ; GERMANIUM ; EFFICIENT ; SEMICONDUCTORS ; UNIVERSALITY
原始文献类型	Article ; Early Access
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/104526
专题	物质科学与技术学院_硕士生
通讯作者	Hu, Yan-Fei
作者单位	1.Sichuan Univ Sci & Engn, Sch Phys & Elect Engn, Zigong 643000, Peoples R China 2.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai, Peoples R China
推荐引用方式 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).