Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles

We have implemented the Bogoliubov-de Gennes equation in a screened Korringa-Kohn-Rostoker method for solving, self-consistently, the superconducting state for three-dimensional (3D) crystals including substitutional impurities. In this paper we extend this theoretical framework to allow for colline...

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Detalles Bibliográficos
Autores: Saunderson, Tom G., Annett, James F., Csire, Gábor, Gradhand, Martin
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:10261/271101
Acceso en línea:http://hdl.handle.net/10261/271101
Access Level:acceso abierto
Palabra clave:Impurities
Impurities in superconductors
Local density of states
Magnetism
Superconducting gap
S-wave
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spelling Full orbital decomposition of Yu-Shiba-Rusinov states based on first principlesSaunderson, Tom G.Annett, James F.Csire, GáborGradhand, MartinImpuritiesImpurities in superconductorsLocal density of statesMagnetismSuperconducting gapS-waveWe have implemented the Bogoliubov-de Gennes equation in a screened Korringa-Kohn-Rostoker method for solving, self-consistently, the superconducting state for three-dimensional (3D) crystals including substitutional impurities. In this paper we extend this theoretical framework to allow for collinear magnetism and apply it to fcc Pb with 3D magnetic impurities. In the presence of magnetic impurities, there is a pair-breaking effect that results in in-gap Yu-Shiba-Rusinov (YSR) states which we decompose into contributions from the individual orbital character. We determine the spatial extent of these impurity states, showing how the different orbital character affects the details of the YSR states within the superconducting gap. Our work highlights the importance of a first-principles-based description which captures the quantitative details, making direct comparisons with experimental findings possible.The above work was supported by the Centre for Doctoral Training in Condensed Matter Physics, funded by EPSRC Grant No. EP/L015544/1. T.G.S. gratefully acknowledges support by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) Grant No. TRR 173/2 - 268565370 Spin+X (project A11). G.C. gratefully acknowledges support from the European Union's Horizon 2020 research and innovation program under Marie Skłodowska-Curie Grant Agreement No. 754510. 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 (Grant No. PGC2018-096955-B-C43), and Generalitat de Catalunya (Grant No. 2017SGR1506 and the CERCA program). The work was also supported by the European Union MaX Center of Excellence (EU-H2020 Grant No. 824143). M.G. thanks the visiting professorship program of the Centre for Dynamics and Topology at Johannes Gutenberg University Mainz.American Physical SocietyGerman Research FoundationEuropean CommissionMinisterio de Economía y Competitividad (España)Ministerio de Ciencia, Innovación y Universidades (España)Agencia Estatal de Investigación (España)Generalitat de CatalunyaJohannes Gutenberg University MainzConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2022202220222022info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/271101reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-096955-B-C43info:eu-repo/grantAgreement/EC/H2020/824143info:eu-repo/grantAgreement/EC/H2020/754510http://doi.org/10.1103/PhysRevB.105.014424Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/2711012026-05-22T06:33:51Z
dc.title.none.fl_str_mv Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
title Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
spellingShingle Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
Saunderson, Tom G.
Impurities
Impurities in superconductors
Local density of states
Magnetism
Superconducting gap
S-wave
title_short Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
title_full Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
title_fullStr Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
title_full_unstemmed Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
title_sort Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
dc.creator.none.fl_str_mv Saunderson, Tom G.
Annett, James F.
Csire, Gábor
Gradhand, Martin
author Saunderson, Tom G.
author_facet Saunderson, Tom G.
Annett, James F.
Csire, Gábor
Gradhand, Martin
author_role author
author2 Annett, James F.
Csire, Gábor
Gradhand, Martin
author2_role author
author
author
dc.contributor.none.fl_str_mv German Research Foundation
European Commission
Ministerio de Economía y Competitividad (España)
Ministerio de Ciencia, Innovación y Universidades (España)
Agencia Estatal de Investigación (España)
Generalitat de Catalunya
Johannes Gutenberg University Mainz
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Impurities
Impurities in superconductors
Local density of states
Magnetism
Superconducting gap
S-wave
topic Impurities
Impurities in superconductors
Local density of states
Magnetism
Superconducting gap
S-wave
description We have implemented the Bogoliubov-de Gennes equation in a screened Korringa-Kohn-Rostoker method for solving, self-consistently, the superconducting state for three-dimensional (3D) crystals including substitutional impurities. In this paper we extend this theoretical framework to allow for collinear magnetism and apply it to fcc Pb with 3D magnetic impurities. In the presence of magnetic impurities, there is a pair-breaking effect that results in in-gap Yu-Shiba-Rusinov (YSR) states which we decompose into contributions from the individual orbital character. We determine the spatial extent of these impurity states, showing how the different orbital character affects the details of the YSR states within the superconducting gap. Our work highlights the importance of a first-principles-based description which captures the quantitative details, making direct comparisons with experimental findings possible.
publishDate 2022
dc.date.none.fl_str_mv 2022
2022
2022
2022
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/10261/271101
url http://hdl.handle.net/10261/271101
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-096955-B-C43
info:eu-repo/grantAgreement/EC/H2020/824143
info:eu-repo/grantAgreement/EC/H2020/754510
http://doi.org/10.1103/PhysRevB.105.014424
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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