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A new approach to the realization and control of negative differential resistance in single-molecule nanoelectronic devices: Designer transition metal-thiol interface states

机译:在单分子纳米电子器件中实现和控制负微分电阻的新方法:设计者过渡金属-硫醇界面态

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摘要

On the basis of ab initio and semiempirical calculations, we predict single alkane dithiolate molecules bridging transition metal nanoelectrodes (including Pd/Rh, Pt/Rh, and Pt/Pt) to exhibit negative differential resistance (NDR). The mechanism is resonant conduction via interface states arising from hybridization between molecular thiol groups and transition metal d orbitals. We show how the NDR realized in this new way can be controlled by tailoring interface state properties through appropriate choice of nanoelectrode transition metals and surface structures.
机译:在从头算和半经验计算的基础上,我们预测桥接过渡金属纳米电极(包括Pd / Rh,Pt / Rh和Pt / Pt)的单个二硫代烷烃分子表现出负微分电阻(NDR)。机理是通过分子硫醇基团与过渡金属d轨道之间的杂化产生的界面状态进行共振传导。我们展示了如何通过适当选择纳米电极过渡金属和表面结构来调整界面状态属性,从而控制以这种新方式实现的NDR。

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