Exploring the stability of twisted van der Waals heterostructures
Exploring the stability of twisted van der Waals heterostructures
Recent research showed that the rotational degree of freedom in stacking 2D materials yields great changes in the electronic properties. Here, we focus on an often overlooked question: are twisted geometries stable and what defines their rotational energy landscape? Our simulations show how epitaxy theory breaks down in these systems, and we explain the observed behavior in terms of an interplay between flexural phonons and the interlayer coupling, governed by the moiré superlattice. Our argument, applied to the well-studied MoS2/graphene system, rationalizes experimental results and could serve as guidance to design twistronic devices.
Graphene, Heterostructures, Molecular Dynam- ics Simulations, Molybdenum Disulfide, Twist Deformation, Twistronics
45214-45221
Silva, Andrea
7919ec1d-34c8-4f54-bfb2-389733f5175d
Claerbout, Victor Emile Phillippe
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Polcar, Tomas
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Kramer, Denis
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Nicolini, Paolo
80726840-4adf-44ea-a1dd-a77f9cb1e72d
7 October 2020
Silva, Andrea
7919ec1d-34c8-4f54-bfb2-389733f5175d
Claerbout, Victor Emile Phillippe
a4f7382e-cb6f-483d-9378-073307b7fe23
Polcar, Tomas
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Kramer, Denis
1faae37a-fab7-4edd-99ee-ae4c30d3cde4
Nicolini, Paolo
80726840-4adf-44ea-a1dd-a77f9cb1e72d
Silva, Andrea, Claerbout, Victor Emile Phillippe, Polcar, Tomas, Kramer, Denis and Nicolini, Paolo
(2020)
Exploring the stability of twisted van der Waals heterostructures.
ACS Applied Materials and Interfaces, 12 (40), .
(doi:10.1021/acsami.0c13971).
Abstract
Recent research showed that the rotational degree of freedom in stacking 2D materials yields great changes in the electronic properties. Here, we focus on an often overlooked question: are twisted geometries stable and what defines their rotational energy landscape? Our simulations show how epitaxy theory breaks down in these systems, and we explain the observed behavior in terms of an interplay between flexural phonons and the interlayer coupling, governed by the moiré superlattice. Our argument, applied to the well-studied MoS2/graphene system, rationalizes experimental results and could serve as guidance to design twistronic devices.
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Accepted/In Press date: 8 September 2020
e-pub ahead of print date: 8 September 2020
Published date: 7 October 2020
Keywords:
Graphene, Heterostructures, Molecular Dynam- ics Simulations, Molybdenum Disulfide, Twist Deformation, Twistronics
Identifiers
Local EPrints ID: 444015
URI: http://eprints.soton.ac.uk/id/eprint/444015
ISSN: 1944-8244
PURE UUID: edb145bc-911c-4999-b45e-920b105fdb19
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Date deposited: 22 Sep 2020 16:31
Last modified: 12 Nov 2024 05:02
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Contributors
Author:
Andrea Silva
Author:
Victor Emile Phillippe Claerbout
Author:
Paolo Nicolini
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