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...
| Autores: | , , , , , |
|---|---|
| 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 |
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oai:repositorio.uam.es:10486/705088 |
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| network_name_str |
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Charge-spin interconversion in graphene-based systems from density functional theory Rassekh, Maedeh Santos, Hernán Latgé, Andrea Chico, Leonor Farjami Shayesteh, Saber Palacios Burgos, Juan José Density-Functional-Theory First Principles Interconversions Quantum Transport Simple++ Spin Components Spin-Orbit Couplings Spin-Polarization Two-Dimensional Materials Física 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 American Physical Society http://hdl.handle.net/10486/705088 https://dx.doi.org/10.1103/PhysRevB.104.235429 |
| 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 |
| 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 |
| topic |
Density-Functional-Theory First Principles Interconversions Quantum Transport Simple++ Spin Components Spin-Orbit Couplings Spin-Polarization Two-Dimensional Materials Física |
| topic_facet |
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 |
| format |
article |
| url |
http://hdl.handle.net/10486/705088 https://dx.doi.org/10.1103/PhysRevB.104.235429 |
| language |
eng |
| eu_rights_str_mv |
openAccess |
| publisher |
American Physical Society |
| institution |
Universidad Autónoma de Madrid |
| collection |
Biblos-e Archivo. Repositorio Institucional de la UAM |
| reponame_str |
Biblos-e Archivo. Repositorio Institucional de la UAM |
| instname_str |
Universidad Autónoma de Madrid |
| _version_ |
1878431432560345088 |
| publishDateSort |
2021 |
| author_browse |
Chico, Leonor Farjami Shayesteh, Saber Latgé, Andrea Palacios Burgos, Juan José Rassekh, Maedeh Santos, Hernán |
| publisherStr |
American Physical Society |
| score |
6,924472 |