Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi

In this work, we performed extensive first-principles simulations of high-harmonic generation in the topological Diract semimetal Na3Bi using a first-principles time-dependent density functional theory framework, focusing on the effect of spin-orbit coupling (SOC) on the harmonic response. We also d...

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Detalles Bibliográficos
Autores: Tancogne-Dejean, Nicolas, Eich, F. G., Rubio, Angel
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2022
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/306167
Acceso en línea:http://hdl.handle.net/10261/306167
Access Level:acceso abierto
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spelling Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3BiTancogne-Dejean, NicolasEich, F. G.Rubio, AngelIn this work, we performed extensive first-principles simulations of high-harmonic generation in the topological Diract semimetal Na3Bi using a first-principles time-dependent density functional theory framework, focusing on the effect of spin-orbit coupling (SOC) on the harmonic response. We also derived an analytical model describing the microscopic mechanism of strong-field dynamics in presence of spin-orbit coupling, starting from a locally U(1) × SU(2) gauge-invariant Hamiltonian. Our results reveal that SOC: (i) affects the strong-field excitation of carriers to the conduction bands by modifying the bandstructure of Na3Bi, (ii) makes each spin channel reacts differently to the driven laser by modifying the electron velocity (iii) changes the emission timing of the emitted harmonics. Moreover, we show that the SOC affects the harmonic emission by directly coupling the charge current to the spin currents, paving the way to the high-harmonic spectroscopy of spin currents in solids.Open Access funding enabled and organized by Projekt DEAL.This work was supported by the European Research Council (ERC-2015-AdG694097), the Cluster of Excellence ‘Advanced Imaging of Matter’ (AIM), Grupos Consolidados (IT1249-19) and SFB925. The Flatiron Institute is a division of the Simons Foundation.Peer reviewedSpringer NatureEuropean CommissionEuropean Research CouncilSimons FoundationFlatiron InstituteConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202320232022info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/306167reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/EC/H2020/694097npj Computational Materialshttps://doi.org/10.1038/s41524-022-00831-6Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3061672026-05-22T06:33:51Z
dc.title.none.fl_str_mv Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
title Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
spellingShingle Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
Tancogne-Dejean, Nicolas
title_short Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
title_full Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
title_fullStr Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
title_full_unstemmed Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
title_sort Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi
dc.creator.none.fl_str_mv Tancogne-Dejean, Nicolas
Eich, F. G.
Rubio, Angel
author Tancogne-Dejean, Nicolas
author_facet Tancogne-Dejean, Nicolas
Eich, F. G.
Rubio, Angel
author_role author
author2 Eich, F. G.
Rubio, Angel
author2_role author
author
dc.contributor.none.fl_str_mv European Commission
European Research Council
Simons Foundation
Flatiron Institute
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description In this work, we performed extensive first-principles simulations of high-harmonic generation in the topological Diract semimetal Na3Bi using a first-principles time-dependent density functional theory framework, focusing on the effect of spin-orbit coupling (SOC) on the harmonic response. We also derived an analytical model describing the microscopic mechanism of strong-field dynamics in presence of spin-orbit coupling, starting from a locally U(1) × SU(2) gauge-invariant Hamiltonian. Our results reveal that SOC: (i) affects the strong-field excitation of carriers to the conduction bands by modifying the bandstructure of Na3Bi, (ii) makes each spin channel reacts differently to the driven laser by modifying the electron velocity (iii) changes the emission timing of the emitted harmonics. Moreover, we show that the SOC affects the harmonic emission by directly coupling the charge current to the spin currents, paving the way to the high-harmonic spectroscopy of spin currents in solids.
publishDate 2022
dc.date.none.fl_str_mv 2022
2023
2023
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/10261/306167
url http://hdl.handle.net/10261/306167
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/EC/H2020/694097
npj Computational Materials
https://doi.org/10.1038/s41524-022-00831-6
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Springer Nature
publisher.none.fl_str_mv Springer Nature
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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score 15,812429

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