Quantum transport in graphene nanoribbon networks: complexity reduction by a network decimation algorithm

DOI10.1088/1367-2630/ACAEF0MaRDI QIDQ6042384zbMATH OpenOpenAlexFDO

Authors Martina Hentschel, Jörg Schuster

Publication date 10 May 2023

Published in New Journal of Physics (Search for Journal in Brave)

Copyright license Creative Commons Attribution 4.0 International

Full work available at URL https://arxiv.org/abs/2212.07238

zbMATH Keywords

networkquantum transportnodal analysisgraphene nanoribbondecimation schemedensity-functional-based tight bindingrecursive Green's function formalism

Mathematics Subject Classification ID

Transport processes in time-dependent statistical mechanics (82C70) Statistical mechanics of nanostructures and nanoparticles (82D80)

Abstract: We study electronic quantum transport in graphene nanoribbon (GNR) networks on mesoscopic length scales. We focus on zigzag GNRs and investigate the conductance properties of statistical networks. To this end we use a density-functional-based tight-binding model to determine the electronic structure and quantum transport theory to calculate electronic transport properties. We then introduce a new efficient network decimation algorithm that reduces the complexity in generic three-diemnsional GNR networks. We compare our results to semi-classical calculations based on the nodal analysis approach and discuss the dependence of the conductance on network density and network size. We show that a nodal analysis model cannot reproduce the quantum transport results nor their dependence on model parameters well. Thus, solving the quantum network by our efficient approach is mandatory for accurate modelling the electron transport through GNR networks.

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Cites work

• Improved recursive Green's function formalism for quasi one-dimensional systems with realistic defects
• Quantum Transport: Atom to Transistor

Cited in

(3)

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• Electronic states in ordered and disordered quantum networks: With applications to graphene and to boron nanotubes

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