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Atomistic deconstruction of current flow in graphene based hetero-junctions

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Abstract

We describe the numerical modeling of current flow in graphene heterojunctions, within the Keldysh Landauer Non-equilibrium Green’s function (NEGF) formalism. By implementing a k-space approach along the transverse modes, coupled with partial matrix inversion using the Recursive Green’s function Algorithm (RGFA), we can simulate on an atomistic scale current flow across devices approaching experimental dimensions. We use the numerical platform to deconstruct current flow in graphene, compare with experimental results on conductance, conductivity and quantum Hall, and deconstruct the physics of electron ‘optics’ and pseudospintronics in graphene pn junctions. We also demonstrate how to impose exact open boundary conditions along the edges to minimize spurious edge reflections.

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Acknowledgements

The authors acknowledge financial support from INDEX-NRI. Redwan Sajjad would like to thank Khairul Alam (EWU) and Golam Rabbani (UW) for the assistance in implementing RGFA. Authors also thank Eugene Kolomeisky (UVA), Branislav Nikolic (UDel), Farzad Mahfouzi (UDel) for useful discussions.

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  1. Department of Electrical and Computer Engineering, University of Virginia, Charlottesville, VA, 22904, USA

    Redwan N. Sajjad, Carlos A. Polanco & Avik W. Ghosh

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  1. Redwan N. Sajjad
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Correspondence to Redwan N. Sajjad.

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Sajjad, R.N., Polanco, C.A. & Ghosh, A.W. Atomistic deconstruction of current flow in graphene based hetero-junctions. J Comput Electron 12, 232–247 (2013). https://doi.org/10.1007/s10825-013-0459-6

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