Efficient quantum transport simulation for bulk graphene heterojunctions

TL;DR

This paper presents a computationally efficient method for simulating quantum transport in large bulk graphene heterojunctions, achieving high accuracy without free parameters and matching experimental results.

Contribution

The authors develop a new approach that reduces computational costs for quantum transport simulations in large graphene systems, enabling practical analysis of experimentally relevant structures.

Findings

Accurate simulation of bulk graphene heterojunctions achieved

Excellent agreement with experimental Klein backscattering data

Method reduces computational resources significantly

Abstract

The quantum transport formalism based on tight-binding models is known to be powerful in dealing with a wide range of open physical systems subject to external driving forces but is, at the same time, limited by the memory requirement's increasing with the number of atomic sites in the scattering region. Here we demonstrate how to achieve an accurate simulation of quantum transport feasible for experimentally sized bulk graphene heterojunctions at a strongly reduced computational cost. Without free tuning parameters, we show excellent agreement with a recent experiment on Klein backscattering [A. F. Young and P. Kim, Nature Phys. 5, 222 (2009)].