Disentangling morphology and conductance in amorphous graphene

Fuente: arXiv
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Main Authors: Gastellu, Nicolas, Madanchi, Ata, Simine, Lena
Format: Preprint
Published: 2024
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author Gastellu, Nicolas
Madanchi, Ata
Simine, Lena
author_facet Gastellu, Nicolas
Madanchi, Ata
Simine, Lena
contents Amorphous graphene or amorphous monolayer carbon (AMC) is a family of carbon films that exhibit a surprising sensitivity of electronic conductance to morphology. We combine deep learning-enhanced simulation techniques with percolation theory to analyze three morphologically distinct mesoscale AMCs. Our approach avoids the pitfalls of applying periodic boundary conditions to these fundamentally aperiodic systems or equating crystalline inclusions with conducting sites. We reproduce the previously reported dependence of charge conductance on morphology and explore the limitations of partial morphology descriptors in witnessing conductance properties. Finally, we perform crystallinity analysis of conductance networks along the electronic energy spectrum and show that they metamorphose from being localized on crystallites at band edges to localized on defects around the Fermi energy opening the possibility of control through gate voltage.
format Preprint
id arxiv_https___arxiv_org_abs_2411_18041
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Disentangling morphology and conductance in amorphous graphene
Gastellu, Nicolas
Madanchi, Ata
Simine, Lena
Mesoscale and Nanoscale Physics
Disordered Systems and Neural Networks
Chemical Physics
Amorphous graphene or amorphous monolayer carbon (AMC) is a family of carbon films that exhibit a surprising sensitivity of electronic conductance to morphology. We combine deep learning-enhanced simulation techniques with percolation theory to analyze three morphologically distinct mesoscale AMCs. Our approach avoids the pitfalls of applying periodic boundary conditions to these fundamentally aperiodic systems or equating crystalline inclusions with conducting sites. We reproduce the previously reported dependence of charge conductance on morphology and explore the limitations of partial morphology descriptors in witnessing conductance properties. Finally, we perform crystallinity analysis of conductance networks along the electronic energy spectrum and show that they metamorphose from being localized on crystallites at band edges to localized on defects around the Fermi energy opening the possibility of control through gate voltage.
title Disentangling morphology and conductance in amorphous graphene
topic Mesoscale and Nanoscale Physics
Disordered Systems and Neural Networks
Chemical Physics
url https://arxiv.org/abs/2411.18041