The thermal and thermoelectric transport properties of SiSb, GeSb and SnSb monolayers†,Journal of Materials Chemistry C

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The thermal and thermoelectric transport properties of SiSb, GeSb and SnSb monolayers†
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2019-08-14 00:00:00 , DOI: 10.1039/c9tc02876e
H. H. Huang _{1,

2,

3,

4,

5} , Xiaofeng Fan _{1,

2,

3,

4,

5} , David J. Singh _{6,

7,

8,

9,

10} , W. T. Zheng _{1,

2,

3,

4,

5}

Affiliation

We investigated the electronic structure and the electrical and thermal transport properties of SiSb, GeSb and SnSb monolayers by first-principles methods. All three are indirect bandgap semiconductors. Transport calculations show that they have large n-type Seebeck coefficients and thermoelectric power factors at optimal doping levels, especially in SiSb. The intrinsic lattice thermal conductivity was explored and SiSb monolayer in particular was found to have a very low thermal conductivity (4.75 W m⁻¹ K⁻¹ at 300 K). This combined with the electrical properties suggest a high ZT value, perhaps as much as ZT = 2. Importantly, the nature of the material suggests it is a model system for understanding the effects of dimensional reduction on thermoelectric properties.

中文翻译：

SiSb，GeSb和SnSb单层的热和热电传输性质†

我们通过第一性原理研究了SiSb，GeSb和SnSb单层的电子结构以及电学和热学传输特性。这三个都是间接带隙半导体。迁移计算表明，在最佳掺杂水平下，它们具有较大的n型塞贝克系数和热电功率因数，尤其是在SiSb中。探索了本征晶格热导率，特别是发现SiSb单层具有非常低的热导率（300 K时为4.75 W m ^-1 K ^-1）。结合电性能，可以得出较高的ZT值，可能与ZT一样高 =2。重要的是，材料的性质表明它是一个模型系统，用于了解尺寸缩减对热电性能的影响。

更新日期：2019-08-14

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