The spin-dependent Seebeck effect and the charge and spin figure of merit in a hybrid structure of single-walled carbon nanotubes and zigzag-edge graphene nanoribbons,Physical Chemistry Chemical Physics

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The spin-dependent Seebeck effect and the charge and spin figure of merit in a hybrid structure of single-walled carbon nanotubes and zigzag-edge graphene nanoribbons
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-07-03 00:00:00 , DOI: 10.1039/c8cp02258e
Xue-Mei Ye _{1,

2,

3} , Xiao-Qin Tang _{1,

2,

3} , Xing-Yi Tan _{1,

2,

3} , Da-Hua Ren _{1,

2,

3}

Affiliation

A hybrid structure of carbon nanotubes and graphene nanoribbons was predicted and synthesized (Y. Li et al., Nat. Nanotechnol., 2012, 7, 394–400; P. Lou, J. Phys. Chem. C, 2014, 118, 4475–4482). Herein, using the non-equilibrium Green's function (NEGF) combined with density functional theory (DFT), the thermal spin transport properties and the figure of merit (a material constant proportional to the efficiency of a thermoelectric couple made with the material) of a composite of single-walled carbon nanotubes and zigzag-edge graphene nanoribbons, labeled (6,6)SWCNT/n-ZGNR, are investigated for n = 1, 2, 3, and 8. The results manifest that spin-dependent currents with opposite flow directions were generated when a temperature gradient was applied between two electrodes, indicating the occurrence of the spin-dependent Seebeck effect (SDSE). Remarkably, when n = 3, the charge current is equal to zero, meaning that a perfect SDSE is observed. Moreover, a pure spin-dependent Seebeck diode (SDSD) effect can be observed. Finally, we notice that the device presents an n-type characteristic when n = 1, while the device has a p-type feature when n = 2. In particular, the spin-up thermopower is equal to the spin-down thermopower when n = 3; as a consequence, the charge thermopower is equal to zero, further demonstrating that a perfect SDSE is generated. These discoveries indicate that the (6,6)SWCNT/n-ZGNR is a promising candidate for spin caloritronics devices.

中文翻译：

单壁碳纳米管与之字形边缘石墨烯纳米带的混合结构中的自旋依赖性塞贝克效应以及电荷和自旋品质因数

碳纳米管和石墨烯纳米带的混合结构预测和合成（Y.李等人，。纳特Nanotechnol。，2012，7，394-400; P.娄，J。物理学化学物质C，2014，118， 4475–4482）。此处，结合非平衡格林函数（NEGF）和密度泛函理论（DFT），得出了热自旋输运性质和品质因数（与该材料制成的热电偶的效率成正比的材料常数）。复合单壁碳纳米管和锯齿边缘石墨烯纳米带，标记为（6,6）SWCNT /的ñ -ZGNR，进行了研究用于ñ= 1、2、3和8。结果表明，当在两个电极之间施加温度梯度时，会产生具有相反流动方向的自旋相关电流，这表明发生了自旋相关塞贝克效应（SDSE）。值得注意的是，当n = 3时，充电电流等于零，这意味着可以观察到理想的SDSE。此外，可以观察到纯自旋相关的塞贝克二极管（SDSD）效应。最后，我们注意到，该装置呈现n型特性时Ñ = 1，而该装置具有p型功能时Ñ = 2。在特别是，自旋向上的热电动势等于降速热电动势时Ñ= 3; 结果，充电热功率等于零，进一步表明产生了完美的SDSE。这些发现表明，（6,6）SWCNT / n -ZGNR是自旋量热电子器件的有希望的候选者。

更新日期：2018-07-03

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