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Materials 4.0: Deep Mechanics

August 19-23, 2019
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TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology

» presentations   » 2016.03.09

Mechanically strained graphene nanojunctions

Seddigheh Nikipar, Dmitry Ryndyk, and Gianaurelio Cuniberti

DPG Frühjahrstagung der Sektion Kondensierte Materie (SKM)

2016.03.09; Regensburg, Germany

It has been demonstrated recently that mechanically strained graphene presents interesting electrical properties, which have great potential for novel applications in electronic devices. In particular, the strain in graphene nanoribbons can lead to substantial changes in its electronic properties. Besides, it provides a possibility to develop atomic point contacts and break junctions. The main purpose of this work is to investigate theoretically the influence of uniaxial mechanical strains on graphene nanojunctions in order to design graphene point contact. To this aim, we developed the computational model by combining density functional theory and molecular dynamics methods. First, we investigated the change of the junction shape with increasing strain and the breaking with the formation of the nanogap. As expected, our theoretical model predicts the deformation of the break junction bottleneck into carbon chains before the rupture of the structure. we evaluated the electronic transmission function of graphene quantum junction by employing a coupled tight bonding and nonequilibrium green function methods. Interestingly it is found that graphene point contact can present resonance transmission in contrast to the conventional metallic point contacts with quantized conductance. This might be originated from influence of other parameters on transmission.

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Prof. Dr. Gianaurelio Cuniberti
Ms Sylvi Katzarow
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