Extremely Anisotropic Thermoelectric Properties of SnSe Under Pressure

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外文摘要：SnSe has attracted extensive attention due to its ultralow thermal conductivity and excellent thermoelectric properties.In this work,pressure-induced thermoelectric properties of Pnma SnSe are investigated via first-principles calculations.We uncover distinct energy isosurfaces topology transition of conduction band by applying pressure.The newly created conduction band valley caused by pressure has a distinct anisotropic shape compared to the old one.Inducing pressure can greatly enhance the anisotropy of electronic transport properties of the n-type Pnma SnSe.Furthermore,the lattice thermal conductivity also exhibits anisotropic behavior under pressure due to a special collaged phonon mode.The pressure-induced lattice thermal conductivity along the a-axis shows a slower growth trend than that along the b-axis and c-axis.The optimal ZT value of the n-type Pnma SnSe along the a-axis can reach 1.64 at room temperature.These results would be helpful for designing the Pnma SnSe-based materials for the potential thermoelectric and valleytronic applications.

外文关键词：

first-principles calculationspressureSnSethermoelectric materials

作者：

Wei Cao、Ziyu Wang、Ling Miao、Jing Shi、Rui Xiong

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作者单位：

Key Laboratory of Artificial Micro-and Nano-structures of Ministry of Education,School of Physics and Technology,Wuhan University,Wuhan 430072,China

The Institute of Technological Sciences,Wuhan University,Wuhan 430072,China

Suzhou Institute of Wuhan University,Suzhou 215123,China

School of Optical and Electronic Information,Huazhong University of Science and Technology,Wuhan 430074,China

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基金：

国家自然科学基金国家自然科学基金国家自然科学基金国家重点研发计划Suzhou Key Industrial Technology Innovation project

项目编号：

9196320712122408120742922021YFA0718700SYG201921

出版年：

2023

DOI：

10.1002/eem2.12361

能源与环境材料(英文)

CSCD

ISSN：

年,卷(期)：2023.6(3)

参考文献量47