Thermal decoherence and disorder effects on chiral-induced spin selectivity

We use a nonlinear master equation formalism to account for thermal and disorder effects on spin-dependent electron transport in helical organic molecules coupled to two ideal leads. The inclusion of these two effects has important consequences in understanding the observed length and temperature de...

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Detalles Bibliográficos
Autores: Díaz García, Elena, Domínguez-Adame Acosta, Francisco, Gutierrez, Rafael, Cuniberti, Gianaurelio, Mujica, Vladimiro
Tipo de recurso: artículo
Fecha de publicación:2018
País:España
Institución:Universidad Complutense de Madrid (UCM)
Repositorio:Docta Complutense
Idioma:inglés
OAI Identifier:oai:docta.ucm.es:20.500.14352/18665
Acceso en línea:https://hdl.handle.net/20.500.14352/18665
Access Level:acceso abierto
Palabra clave:538.9
Electron transmission
Molecular wires
Dna
Transport
Conduction
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
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repository_id_str
spelling Thermal decoherence and disorder effects on chiral-induced spin selectivityDíaz García, ElenaDomínguez-Adame Acosta, FranciscoGutierrez, RafaelCuniberti, GianaurelioMujica, Vladimiro538.9Electron transmissionMolecular wiresDnaTransportConductionFísica de materialesFísica del estado sólido2211 Física del Estado SólidoWe use a nonlinear master equation formalism to account for thermal and disorder effects on spin-dependent electron transport in helical organic molecules coupled to two ideal leads. The inclusion of these two effects has important consequences in understanding the observed length and temperature dependence of spin polarization in experiments, which cannot be accounted for in a purely coherent tunneling model. Our approach considers a tight-binding helical Hamiltonian with disordered onsite energies to describe the resulting electronic states when low-frequency interacting modes break the electron coherence. The high-frequency fluctuating counterpart of these interactions, typical of intramolecular modes, is included by means of temperature-dependent thermally activated transfer probabilities in the master equation, which lead to hopping between localized states. We focus on the spin-dependent conductance and the spin-polarization in the linear regime (low voltage) which are analyzed as a function of the molecular length and the temperature of the system. Our results at room temperature agree well with experiments because our model predicts that the degree of spin polarization increases for longer molecules. Also, this effect is temperature-dependent because thermal excitation competes with disorder-induced Anderson localization. We conclude that a transport mechanism based on thermally activated hopping in a disordered system can account for the unexpected behavior of the spin polarization.Amer Chemical SocUniversidad Complutense de Madrid20182018-01-0120182018-01-01journal articlehttp://purl.org/coar/resource_type/c_6501info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/20.500.14352/18665reponame:Docta Complutenseinstname:Universidad Complutense de Madrid (UCM)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:docta.ucm.es:20.500.14352/186652026-06-02T12:44:21Z
dc.title.none.fl_str_mv Thermal decoherence and disorder effects on chiral-induced spin selectivity
title Thermal decoherence and disorder effects on chiral-induced spin selectivity
spellingShingle Thermal decoherence and disorder effects on chiral-induced spin selectivity
Díaz García, Elena
538.9
Electron transmission
Molecular wires
Dna
Transport
Conduction
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
title_short Thermal decoherence and disorder effects on chiral-induced spin selectivity
title_full Thermal decoherence and disorder effects on chiral-induced spin selectivity
title_fullStr Thermal decoherence and disorder effects on chiral-induced spin selectivity
title_full_unstemmed Thermal decoherence and disorder effects on chiral-induced spin selectivity
title_sort Thermal decoherence and disorder effects on chiral-induced spin selectivity
dc.creator.none.fl_str_mv Díaz García, Elena
Domínguez-Adame Acosta, Francisco
Gutierrez, Rafael
Cuniberti, Gianaurelio
Mujica, Vladimiro
author Díaz García, Elena
author_facet Díaz García, Elena
Domínguez-Adame Acosta, Francisco
Gutierrez, Rafael
Cuniberti, Gianaurelio
Mujica, Vladimiro
author_role author
author2 Domínguez-Adame Acosta, Francisco
Gutierrez, Rafael
Cuniberti, Gianaurelio
Mujica, Vladimiro
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Universidad Complutense de Madrid
dc.subject.none.fl_str_mv 538.9
Electron transmission
Molecular wires
Dna
Transport
Conduction
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
topic 538.9
Electron transmission
Molecular wires
Dna
Transport
Conduction
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
description We use a nonlinear master equation formalism to account for thermal and disorder effects on spin-dependent electron transport in helical organic molecules coupled to two ideal leads. The inclusion of these two effects has important consequences in understanding the observed length and temperature dependence of spin polarization in experiments, which cannot be accounted for in a purely coherent tunneling model. Our approach considers a tight-binding helical Hamiltonian with disordered onsite energies to describe the resulting electronic states when low-frequency interacting modes break the electron coherence. The high-frequency fluctuating counterpart of these interactions, typical of intramolecular modes, is included by means of temperature-dependent thermally activated transfer probabilities in the master equation, which lead to hopping between localized states. We focus on the spin-dependent conductance and the spin-polarization in the linear regime (low voltage) which are analyzed as a function of the molecular length and the temperature of the system. Our results at room temperature agree well with experiments because our model predicts that the degree of spin polarization increases for longer molecules. Also, this effect is temperature-dependent because thermal excitation competes with disorder-induced Anderson localization. We conclude that a transport mechanism based on thermally activated hopping in a disordered system can account for the unexpected behavior of the spin polarization.
publishDate 2018
dc.date.none.fl_str_mv 2018
2018-01-01
2018
2018-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/20.500.14352/18665
url https://hdl.handle.net/20.500.14352/18665
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 Amer Chemical Soc
publisher.none.fl_str_mv Amer Chemical Soc
dc.source.none.fl_str_mv reponame:Docta Complutense
instname:Universidad Complutense de Madrid (UCM)
instname_str Universidad Complutense de Madrid (UCM)
reponame_str Docta Complutense
collection Docta Complutense
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300719

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