Charge-spin interconversion in graphene-based systems from density functional theory

We present a methodology to address, from first principles, charge-spin interconversion in two-dimensional materials with spin-orbit coupling. Our study relies on an implementation of density functional theory based quantum transport formalism adapted to such purpose. We show how an analysis of the...

Descripción completa

Detalles Bibliográficos
Autores: Rassekh, Maedeh, Santos, Hernán, Latgé, Andrea, Chico, Leonor, Farjami Shayesteh, Saber, Palacios Burgos, Juan José
Tipo de recurso: artículo
Fecha de publicación:2021
País:España
Institución:Universidad Autónoma de Madrid
Repositorio:Biblos-e Archivo. Repositorio Institucional de la UAM
Idioma:inglés
OAI Identifier:oai:repositorio.uam.es:10486/705088
Acceso en línea:http://hdl.handle.net/10486/705088
https://dx.doi.org/10.1103/PhysRevB.104.235429
Access Level:acceso abierto
Palabra clave:Density-Functional-Theory
First Principles
Interconversions
Quantum Transport
Simple++
Spin Components
Spin-Orbit Couplings
Spin-Polarization
Two-Dimensional Materials
Física
id ES_0dfd7a2d5debbf1b653925fef6c2a46e
oai_identifier_str oai:repositorio.uam.es:10486/705088
network_acronym_str ES
network_name_str España
repository_id_str
spelling Charge-spin interconversion in graphene-based systems from density functional theoryRassekh, MaedehSantos, HernánLatgé, AndreaChico, LeonorFarjami Shayesteh, SaberPalacios Burgos, Juan JoséDensity-Functional-TheoryFirst PrinciplesInterconversionsQuantum TransportSimple++Spin ComponentsSpin-Orbit CouplingsSpin-PolarizationTwo-Dimensional MaterialsFísicaWe present a methodology to address, from first principles, charge-spin interconversion in two-dimensional materials with spin-orbit coupling. Our study relies on an implementation of density functional theory based quantum transport formalism adapted to such purpose. We show how an analysis of the k-resolved spin polarization gives the necessary insight to understand the different charge-spin interconversion mechanisms. We have tested it in the simplest scenario of isolated graphene in a perpendicular electric field where effective tight-binding models are available to compare with. Our results show that the flow of an unpolarized current across a single layer of graphene produces, as expected, a spin separation perpendicular to the current for two of the three spin components (out-of-plane and longitudinal), which is the signature of the spin Hall effect. Additionally, it also yields an overall spin accumulation for the third spin component (perpendicular to the current), which is the signature of the Rashba-Edelstein effect. Even in this simple example, our results reveal an unexpected competition between the Rashba and the intrinsic spin-orbit coupling. Remarkably, the sign of the accumulated spin density does not depend on the electron or hole nature of the injected current for realistic values of the Rashba couplingAmerican Physical SocietyDepartamento de Física de la Materia CondensadaFacultad de Ciencias20212021-12-22research articlehttp://purl.org/coar/resource_type/c_2df8fbb1VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10486/705088https://dx.doi.org/10.1103/PhysRevB.104.235429reponame:Biblos-e Archivo. Repositorio Institucional de la UAMinstname:Universidad Autónoma de MadridInglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:repositorio.uam.es:10486/7050882026-06-23T12:46:27Z
dc.title.none.fl_str_mv Charge-spin interconversion in graphene-based systems from density functional theory
title Charge-spin interconversion in graphene-based systems from density functional theory
spellingShingle Charge-spin interconversion in graphene-based systems from density functional theory
Rassekh, Maedeh
Density-Functional-Theory
First Principles
Interconversions
Quantum Transport
Simple++
Spin Components
Spin-Orbit Couplings
Spin-Polarization
Two-Dimensional Materials
Física
title_short Charge-spin interconversion in graphene-based systems from density functional theory
title_full Charge-spin interconversion in graphene-based systems from density functional theory
title_fullStr Charge-spin interconversion in graphene-based systems from density functional theory
title_full_unstemmed Charge-spin interconversion in graphene-based systems from density functional theory
title_sort Charge-spin interconversion in graphene-based systems from density functional theory
dc.creator.none.fl_str_mv Rassekh, Maedeh
Santos, Hernán
Latgé, Andrea
Chico, Leonor
Farjami Shayesteh, Saber
Palacios Burgos, Juan José
author Rassekh, Maedeh
author_facet Rassekh, Maedeh
Santos, Hernán
Latgé, Andrea
Chico, Leonor
Farjami Shayesteh, Saber
Palacios Burgos, Juan José
author_role author
author2 Santos, Hernán
Latgé, Andrea
Chico, Leonor
Farjami Shayesteh, Saber
Palacios Burgos, Juan José
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Departamento de Física de la Materia Condensada
Facultad de Ciencias
dc.subject.none.fl_str_mv Density-Functional-Theory
First Principles
Interconversions
Quantum Transport
Simple++
Spin Components
Spin-Orbit Couplings
Spin-Polarization
Two-Dimensional Materials
Física
topic Density-Functional-Theory
First Principles
Interconversions
Quantum Transport
Simple++
Spin Components
Spin-Orbit Couplings
Spin-Polarization
Two-Dimensional Materials
Física
description We present a methodology to address, from first principles, charge-spin interconversion in two-dimensional materials with spin-orbit coupling. Our study relies on an implementation of density functional theory based quantum transport formalism adapted to such purpose. We show how an analysis of the k-resolved spin polarization gives the necessary insight to understand the different charge-spin interconversion mechanisms. We have tested it in the simplest scenario of isolated graphene in a perpendicular electric field where effective tight-binding models are available to compare with. Our results show that the flow of an unpolarized current across a single layer of graphene produces, as expected, a spin separation perpendicular to the current for two of the three spin components (out-of-plane and longitudinal), which is the signature of the spin Hall effect. Additionally, it also yields an overall spin accumulation for the third spin component (perpendicular to the current), which is the signature of the Rashba-Edelstein effect. Even in this simple example, our results reveal an unexpected competition between the Rashba and the intrinsic spin-orbit coupling. Remarkably, the sign of the accumulated spin density does not depend on the electron or hole nature of the injected current for realistic values of the Rashba coupling
publishDate 2021
dc.date.none.fl_str_mv 2021
2021-12-22
dc.type.none.fl_str_mv research article
http://purl.org/coar/resource_type/c_2df8fbb1
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10486/705088
https://dx.doi.org/10.1103/PhysRevB.104.235429
url http://hdl.handle.net/10486/705088
https://dx.doi.org/10.1103/PhysRevB.104.235429
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:Biblos-e Archivo. Repositorio Institucional de la UAM
instname:Universidad Autónoma de Madrid
instname_str Universidad Autónoma de Madrid
reponame_str Biblos-e Archivo. Repositorio Institucional de la UAM
collection Biblos-e Archivo. Repositorio Institucional de la UAM
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869403370814439424
score 15,300719

Similares en LA Referencia