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A robust effect of the defect on the switching behavior in carbon-based molecular device.
Journal of Molecular Modeling ( IF 2.1 ) Pub Date : 2020-08-05 , DOI: 10.1007/s00894-020-04491-5
Hamed Beyramienanlou 1 , Hamid Vahed 1
Affiliation  

In this paper, we investigate the effects of spin-dependent electron and defect in the carbon-based molecular device. Our proposed molecular device is designed by two carbon chains, which is bonded to a defect. The defect topology includes pentagonal and octagonal carbon rings, which is put between two zigzag-edged graphene nanoribbon (ZGNR). The spin effect and switching symbiosis are shown in this carbon-based device. By switching of the orientation of the defect in two states (S1/S2 states) relative to the two electrodes, the full spin effect is shown. Also, we report the obvious negative differential resistance (NDR) behavior in our proposed molecular device. The results suggest that the proposed composition significantly affects the ratio of current and voltage, which the maximum peak of current (S2 state) is lower than 0.0022 μA and could have a potential application in the next generation of molecular circuits.

中文翻译:

缺陷对碳基分子器件中开关行为的强大影响。

在本文中,我们研究了自旋相关电子和碳基分子器件中缺陷的影响。我们提出的分子装置是由两个碳链设计的,这两个碳链键合到一个缺陷上。缺陷拓扑包括五边形和八边形碳环,它们位于两个曲折边缘的石墨烯纳米带(ZGNR)之间。这种碳基设备显示了自旋效应和开关共生。通过在两个状态(S1 / S2状态)中相对于两个电极切换缺陷的方向,可以显示完全自旋效应。此外,我们报告了我们提出的分子器件中明显的负差动电阻(NDR)行为。结果表明,拟议的组成显着影响电流和电压的比率,电流的最大峰值(S2状态)低于0。
更新日期:2020-08-05
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