Robustness of type-II Dirac cones in biphenylene-based structures

The electronic properties of one- and two-dimensional biphenylene-based systems, such as nanoribbons and bilayers, are studied within a unified approach. Besides the bilayer with direct (AA) stacking, we present two additional symmetric stackings for bilayer biphenylene that we denote by AB, by anal...

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Autores: Lage, L. L., Arroyo-Gascón, Olga, Chico, Leonor, Latgé, A.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/394495
Acceso en línea:http://hdl.handle.net/10261/394495
http://arxiv.org/abs/2403.19373v2
Access Level:acceso abierto
Palabra clave:Physics - Mesoscopic Systems and Quantum Hall Effect
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spelling Robustness of type-II Dirac cones in biphenylene-based structuresLage, L. L.Arroyo-Gascón, OlgaChico, LeonorLatgé, A.Physics - Mesoscopic Systems and Quantum Hall EffectPhysics - Mesoscopic Systems and Quantum Hall EffectThe electronic properties of one- and two-dimensional biphenylene-based systems, such as nanoribbons and bilayers, are studied within a unified approach. Besides the bilayer with direct (AA) stacking, we present two additional symmetric stackings for bilayer biphenylene that we denote by AB, by analogy with bilayer graphene, and AX, which can be derived by a small translation (slip) from the AA bilayer, with distinct band structures. We combine first-principles calculations with a tight-binding model to provide a realistic effective description of these structures. Our approach provides a global framework to characterize and analyze the robustness of the type-II Dirac cone within these structures, captures the variations caused by different stackings, and highlights important symmetries inherent in the biphenylene nanoribbon Dirac cones and edge states.The authors would like to thank INCT de Nanomateriais de Carbono for providing support on the computational infrastructure. L.L.L. acknowledges a CNPq scholarship. A.L. thanks the CNPq and FAPERJ for Grants No. E-26/202.567/2019 and No. E-26/200.569/2023. L.C. and O.A.-G. acknowledge financial support from the Agencia Estatal de Investigación under Grant No. PID2022-136285NB-C31 and from Grant No. (MAD2D-CM)–(UCM5), Recovery, Transformation and Resilience Plan, funded by the Comunidad de Madrid, European Union, NextGenerationEU. O.A.-G. acknowledges the support of Grant No. PRE2019-088874 funded by MCIN/AEI/10.13039/501100011033 and by “ESF Investing in your future.” J. D. Correa and S. Bravo are gratefully acknowledged for illuminating conversations.Supplementary material In this supplementary material, we show the relaxed coordinates and the comparison between DFT and TB band structures. First we show the relaxed coordinates starting from GGA-PBE, vdW-DF, and vdW-DF2 beginning with the monolayer (GGA-PBE only) and bilayer for the all three calculations. Later, in Fig.S1 we present the band structure comparison between DFT and TB for GGA-PBE and vdW-DF.Peer reviewedAmerican Physical Society0000-0002-9085-03880000-0003-2065-83980000-0002-7131-12660000-0002-8152-6455Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/394495http://arxiv.org/abs/2403.19373v2reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésPhys. Rev. B 110, 165423 - Published 17 October 2024https://doi.org/10.1103/PhysRevB.110.165423Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3944952026-05-22T06:33:51Z
dc.title.none.fl_str_mv Robustness of type-II Dirac cones in biphenylene-based structures
title Robustness of type-II Dirac cones in biphenylene-based structures
spellingShingle Robustness of type-II Dirac cones in biphenylene-based structures
Lage, L. L.
Physics - Mesoscopic Systems and Quantum Hall Effect
Physics - Mesoscopic Systems and Quantum Hall Effect
title_short Robustness of type-II Dirac cones in biphenylene-based structures
title_full Robustness of type-II Dirac cones in biphenylene-based structures
title_fullStr Robustness of type-II Dirac cones in biphenylene-based structures
title_full_unstemmed Robustness of type-II Dirac cones in biphenylene-based structures
title_sort Robustness of type-II Dirac cones in biphenylene-based structures
dc.creator.none.fl_str_mv Lage, L. L.
Arroyo-Gascón, Olga
Chico, Leonor
Latgé, A.
author Lage, L. L.
author_facet Lage, L. L.
Arroyo-Gascón, Olga
Chico, Leonor
Latgé, A.
author_role author
author2 Arroyo-Gascón, Olga
Chico, Leonor
Latgé, A.
author2_role author
author
author
dc.contributor.none.fl_str_mv 0000-0002-9085-0388
0000-0003-2065-8398
0000-0002-7131-1266
0000-0002-8152-6455
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Physics - Mesoscopic Systems and Quantum Hall Effect
Physics - Mesoscopic Systems and Quantum Hall Effect
topic Physics - Mesoscopic Systems and Quantum Hall Effect
Physics - Mesoscopic Systems and Quantum Hall Effect
description The electronic properties of one- and two-dimensional biphenylene-based systems, such as nanoribbons and bilayers, are studied within a unified approach. Besides the bilayer with direct (AA) stacking, we present two additional symmetric stackings for bilayer biphenylene that we denote by AB, by analogy with bilayer graphene, and AX, which can be derived by a small translation (slip) from the AA bilayer, with distinct band structures. We combine first-principles calculations with a tight-binding model to provide a realistic effective description of these structures. Our approach provides a global framework to characterize and analyze the robustness of the type-II Dirac cone within these structures, captures the variations caused by different stackings, and highlights important symmetries inherent in the biphenylene nanoribbon Dirac cones and edge states.
publishDate 2024
dc.date.none.fl_str_mv 2024
2025
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/394495
http://arxiv.org/abs/2403.19373v2
url http://hdl.handle.net/10261/394495
http://arxiv.org/abs/2403.19373v2
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Phys. Rev. B 110, 165423 - Published 17 October 2024
https://doi.org/10.1103/PhysRevB.110.165423
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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