| Li原子掺杂C28单分子器件的热自旋输运性质 |
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| 引用本文： | 翁祝林.Li原子掺杂C28单分子器件的热自旋输运性质[J].人工晶体学报,2022,51(1):98-103. |
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| 作者姓名： | 翁祝林 |
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| 作者单位： | 湖北民族大学信息工程学院,恩施 445000 |
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| 基金项目： | 湖北民族大学博士启动基金(4198007);湖北省高等学校优秀中青年科技创新团队计划基金(T201914)。 |
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| 摘 要： | 利用第一性原理对Li原子掺杂C28的分子器件的热自旋输运性质进行了计算。在不同的温度场下,上下自旋分别为Li原子掺杂C28的分子器件中的空穴和电子提供了输运通道,在MJ1和MJ3分子器件中,热自旋电流随着温度增加而增大,但在MJ2分子器件中,热自旋电流先增大再减小。三种分子器件都出现了自旋塞贝克效应,MJ2还出现了负微分电阻现象,利用费米-狄拉克分布和自旋输运谱对其物理机理进行了解释。根据Li掺杂C28的单分子器件的热自旋输运性质,可设计新的自旋纳米器件。
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| 关 键 词： | C28 富勒烯 掺杂分子 塞贝克效应 分子器件 热自旋 输运性质 第一性原理 |
| 收稿时间： | 2021-07-29 |
Thermal Spin Transport Properties of the Li Atom Doped C28 Monomolecular Device |
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| WENG Zhulin.Thermal Spin Transport Properties of the Li Atom Doped C28 Monomolecular Device[J].Journal of Synthetic Crystals,2022,51(1):98-103. |
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| Authors: | WENG Zhulin |
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| Affiliation: | School of Information Engineering, Hubei Minzu University, Enshi 445000, China |
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| Abstract: | Thermal spin transport properties of the Li atom doped C28 monomolecular device were simulated by using first-principle study combined with density functional theory.By applying a temperature field,the upper and lower spins provide transport channels for the electrons and holes in the Li doped C28 monomolecular device,respectively.The thermal spin current increases with temperature increasing in the MJ1 and MJ3,but the thermal spin current increases then decrease with temperature increasing in the MJ2.The spin-dependent Seebeck effect appears in the Li doped C28 monomolecular device,and the negative differential resistance effect appears in the MJ2.The physical mechanism was explained using the Fermi-Dirac distribution and spin transmission spectrum.These interesting effects suggest that the Li atom doped C28 monomolecular device can be used as new spin nanodevices. |
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| Keywords: | C28 fullerene doped molecular Seebeck effect molecular device thermal spin transport property first-principle study |
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