Interference effects in one-dimensional moiré crystals
Wittemeier, Nils; Verstraete, Matthieu J.; Ordejón, Pablo; Zanolli, Zeila
(2022) Carbon, volume 186, pp. 416 - 422
(Article)
Abstract
Interference effects in finite sections of one-dimensional moiré crystals are investigated using a Landauer-Büttiker formalism within the tight-binding approximation. We explain interlayer transport in double-wall carbon nanotubes and design a predictive model. Wave function interference is visible at the mesoscale: in the strong coupling regime, as a periodic modulation of
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quantum conductance and emergent localized states; in the localized-insulating regime, as a suppression of interlayer transport, and oscillations of the density of states. These results could be exploited to design quantum electronic devices.
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Keywords: Double wall carbon nanotubes, First-principles, Moiré, Quantum interference, Quantum transport, Tight-binding, General Chemistry, General Materials Science
ISSN: 0008-6223
Publisher: Elsevier Limited
Note: Funding Information: The authors acknowledge enriching discussions on the tight-binding parametrization with L. Henrard and P. Lambin. This work was supported by Spanish MINECO (the Severo Ochoa Centers of Excellence Program under Grant No. SEV- 2017-0706), Spanish MICIU, AEI and EU FEDER (Grants No. PGC2018-096955-B-C43), Generalitat de Catalunya (Grant No. 2017SGR1506 and the CERCA Programme), and the European Union MaX Center of Excellence (EU-H2020 Grant No. 824143). ZZ acknowledges financial support by the Ramon y Cajal program RYC-2016-19344 (MINECO/AEI/FSE, UE) and the Netherlands Sector Plan program 2019–2023. MJV acknowledges funding by the Belgian FNRS (PDR G.A. T.1077.15–1/7 and a sabbatical “OUT” grant at ICN2), and computational resources from the Consortium des Equipements de Calcul Intensif (CECI, FRS-FNRS G.A. 2.5020.11) and Zenobe/CENAERO funded by the Walloon Region under G.A. 1117545. NW has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 754558. We acknowledge computer resources at MareNostrum4 at Barcelona Supercomputing Center (BSC), provided through the PRACE Project Access (OptoSpin project 2020225411) and RES (activity FI-2020-1-0014), and technical support provided by the Barcelona Supercomputing Center. The authors acknowledge the use of the open-source project sisl [34] used to generate atomic structures and as a basis of implementation for our tight-binding model. Funding Information: The authors acknowledge enriching discussions on the tight-binding parametrization with L. Henrard and P. Lambin. This work was supported by Spanish MINECO (the Severo Ochoa Centers of Excellence Program under Grant No. SEV- 2017-0706), Spanish MICIU , AEI and EU FEDER (Grants No. PGC2018-096955-B-C43 ), Generalitat de Catalunya (Grant No. 2017SGR1506 and the CERCA Programme), and the European Union MaX Center of Excellence (EU-H2020 Grant No. 824143). ZZ acknowledges financial support by the Ramon y Cajal program RYC-2016-19344 ( MINECO / AEI / FSE , UE ) and the Netherlands Sector Plan program 2019–2023. MJV acknowledges funding by the Belgian FNRS (PDR G.A. T.1077.15–1/7 and a sabbatical “OUT” grant at ICN2), and computational resources from the Consortium des Equipements de Calcul Intensif ( CECI , FRS- FNRS G.A. 2.5020.11) and Zenobe/CENAERO funded by the Walloon Region under G.A. 1117545. NW has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 754558. We acknowledge computer resources at MareNostrum4 at Barcelona Supercomputing Center (BSC), provided through the PRACE Project Access (OptoSpin project 2020225411 ) and RES (activity FI-2020-1-0014 ), and technical support provided by the Barcelona Supercomputing Center. The authors acknowledge the use of the open-source project sisl [ 34 ] used to generate atomic structures and as a basis of implementation for our tight-binding model. Publisher Copyright: © 2021 The Authors
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