Predicted High Thermoelectric Performance of Quasi-Two-Dimensional Compound GeAs Using First-Principles Calculations

	Predicted High Thermoelectric Performance of Quasi-Two-Dimensional Compound GeAs Using First-Principles Calculations
	DaiFeng Zou; ChuanBin Yu; YuHao Li; Yun Ou
刊名	Chinese Physics Letters中国物理快报
	2017
文献子类	期刊论文
英文摘要	The electronic structure of binary quasi-two-dimensional GeAs is investigated using first-principles calculations, and it is found that the anisotropic structure of the layered compound GeAs brings about the anisotropy of the transport properties. Meanwhile, the band structure of GeAs exhibits a relatively large dispersion near the valence-band maximum in the Z–V direction while it is rather flat in the Z–Γ direction, which is highly desirable for good thermoelectric performance. The calculated partial charge density distribution also reveals that GeAs possesses anisotropic electrical conductivity. Based on the semi-classical Boltzmann transport theory,the anisotropic transport properties are observed, and the optimal doping concentrations are estimated. The temperature dependence transport properties of p-type GeAs are compared with the experimental data in good agreement, and the theoretical figure-of-merit ZT has been predicted as well.
URL标识	查看原文
语种	英语
WOS记录号	WOS:000423104700019
内容类型	期刊论文
源URL	[http://ir.siat.ac.cn:8080/handle/172644/12129]
专题	深圳先进技术研究院_医工所
作者单位	Chinese Physics Letters中国物理快报
推荐引用方式 GB/T 7714	DaiFeng Zou,ChuanBin Yu,YuHao Li,et al. Predicted High Thermoelectric Performance of Quasi-Two-Dimensional Compound GeAs Using First-Principles Calculations[J]. Chinese Physics Letters中国物理快报,2017.
APA	DaiFeng Zou,ChuanBin Yu,YuHao Li,&Yun Ou.(2017).Predicted High Thermoelectric Performance of Quasi-Two-Dimensional Compound GeAs Using First-Principles Calculations.Chinese Physics Letters中国物理快报.
MLA	DaiFeng Zou,et al."Predicted High Thermoelectric Performance of Quasi-Two-Dimensional Compound GeAs Using First-Principles Calculations".Chinese Physics Letters中国物理快报 (2017).