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周期性嵌入四元环和八元环的一维类石墨烯纳米带的自旋塞贝克效应和热电性质

Spin-Seebeck effect and thermoelectric properties of one-dimensional graphene-like nanoribbons periodically embedded with four- and eight-membered rings.

作者信息

Xiong Lun, Gong Bin, Peng Ziyu, Yu Ziyang

机构信息

Hubei Key Laboratory of Optical Information and Pattern Recognition, Wuhan Institute of Technology, Wuhan, 430073, China.

出版信息

Phys Chem Chem Phys. 2021 Oct 27;23(41):23667-23672. doi: 10.1039/d1cp03652a.

Abstract

The spin-Seebeck effect together with a high spin thermoelectric conversion efficiency has been regarded as one of the core topics in spin caloritronics. In this work, we propose a spin caloritronic device constructed on hydrogen-terminated sawtooth graphene-like nanoribbons periodically embedded with four- and eight-membered rings to investigate the thermal spin currents and thermoelectric properties by using density functional theory combined with the non-equilibrium Green's function method. Our theoretical results show that spin-Seebeck currents are induced by the temperature gradient between two leads due to two isolated spin-up and spin-down transport channels above or below the Fermi level. Besides, the embedded four- and eight-membered rings break the mirror symmetry of graphene-like nanoribbons and increase the phonon scattering to lower the lattice conductivity, contributing to the enhancement of the spin figure of merit. Moreover, the increasing width of the nanoribbons can effectively enhance the spin-Seebeck currents and reduce their threshold temperatures to improve the device performances. These systematic investigations not only give us an in-depth understanding into the realistic spin caloritronic device applications of graphene-like nanoribbons, but also help us to choose feasible routes to improve the spin-Seebeck effect with a high spin figure of merit in nanostructures.

摘要

自旋塞贝克效应与高自旋热电转换效率一起被视为自旋热电子学的核心主题之一。在这项工作中,我们提出了一种构建在周期性嵌入四元环和八元环的氢端锯齿状类石墨烯纳米带上的自旋热电器件,以利用密度泛函理论结合非平衡格林函数方法研究热自旋电流和热电性质。我们的理论结果表明,由于费米能级上下两个孤立的自旋向上和自旋向下传输通道,两个引线之间的温度梯度会诱导出自旋塞贝克电流。此外,嵌入的四元环和八元环打破了类石墨烯纳米带的镜面对称性,并增加了声子散射以降低晶格电导率,有助于提高自旋优值。而且,纳米带宽度的增加可以有效增强自旋塞贝克电流并降低其阈值温度,从而改善器件性能。这些系统研究不仅让我们深入了解类石墨烯纳米带在实际自旋热电器件中的应用,还帮助我们选择可行的途径来提高纳米结构中具有高自旋优值的自旋塞贝克效应。

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