Magnetoelectric coupling on fused azulene oligomers

Autores
Valentim, Alexandra; Garcia, Daniel Julio; Plascak, J. A.
Año de publicación
2022
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The global magnetic phase diagram for fused azulene oligomers is obtained by using a fermionic Hubbard model, which is an intermediate between the molecular Pariser-Parr-Pople empiric Hamiltonian and the spin-1/2 antiferromagnetic Heisenberg model. We employ the density matrix renormalization group (DMRG) approach to explore the ground state properties of azulene-like molecules as a function of the electronic correlation and the oligomer size. It is shown that, depending on the length of the oligomer, fused azulene transitions from a singlet (S=0) to a higher-spin (S=1,2) ground state. Near the quantum magnetic phase transition the electric dipole moment, present on fused azulene molecules, couples with the magnetic moment leading to a divergent magnetoelectric susceptibility at the boundary lines of the magnetic phase diagram. These spontaneous electric and magnetic polarizations, together with the magnetoelectric coupling between them, indeed corroborate that these fused azulene oligomers can be viewed as a purely organic multiferroic material, being a magnetoelectric molecule.
Fil: Valentim, Alexandra. Universidade Estadual da Paraiba; Brasil. Universidade Federal de Minas Gerais; Brasil. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Garcia, Daniel Julio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Plascak, J. A.. University of Georgia; Estados Unidos. Universidade Federal de Minas Gerais; Brasil. Universidade Estadual da Paraiba; Brasil
Materia
Magnetic phase transitions
Quantum phase transitions
Molecular magnets
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/214472
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Magnetoelectric coupling on fused azulene oligomersValentim, AlexandraGarcia, Daniel JulioPlascak, J. A.Magnetic phase transitionsQuantum phase transitionsMolecular magnetshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The global magnetic phase diagram for fused azulene oligomers is obtained by using a fermionic Hubbard model, which is an intermediate between the molecular Pariser-Parr-Pople empiric Hamiltonian and the spin-1/2 antiferromagnetic Heisenberg model. We employ the density matrix renormalization group (DMRG) approach to explore the ground state properties of azulene-like molecules as a function of the electronic correlation and the oligomer size. It is shown that, depending on the length of the oligomer, fused azulene transitions from a singlet (S=0) to a higher-spin (S=1,2) ground state. Near the quantum magnetic phase transition the electric dipole moment, present on fused azulene molecules, couples with the magnetic moment leading to a divergent magnetoelectric susceptibility at the boundary lines of the magnetic phase diagram. These spontaneous electric and magnetic polarizations, together with the magnetoelectric coupling between them, indeed corroborate that these fused azulene oligomers can be viewed as a purely organic multiferroic material, being a magnetoelectric molecule.Fil: Valentim, Alexandra. Universidade Estadual da Paraiba; Brasil. Universidade Federal de Minas Gerais; Brasil. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Garcia, Daniel Julio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Plascak, J. A.. University of Georgia; Estados Unidos. Universidade Federal de Minas Gerais; Brasil. Universidade Estadual da Paraiba; BrasilAmerican Physical Society2022-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/214472Valentim, Alexandra; Garcia, Daniel Julio; Plascak, J. A.; Magnetoelectric coupling on fused azulene oligomers; American Physical Society; Physical Review B; 105; 17; 5-2022; 1-82469-99502469-9969CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.105.174426info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:56:09Zoai:ri.conicet.gov.ar:11336/214472instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:56:09.71CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Magnetoelectric coupling on fused azulene oligomers
title Magnetoelectric coupling on fused azulene oligomers
spellingShingle Magnetoelectric coupling on fused azulene oligomers
Valentim, Alexandra
Magnetic phase transitions
Quantum phase transitions
Molecular magnets
title_short Magnetoelectric coupling on fused azulene oligomers
title_full Magnetoelectric coupling on fused azulene oligomers
title_fullStr Magnetoelectric coupling on fused azulene oligomers
title_full_unstemmed Magnetoelectric coupling on fused azulene oligomers
title_sort Magnetoelectric coupling on fused azulene oligomers
dc.creator.none.fl_str_mv Valentim, Alexandra
Garcia, Daniel Julio
Plascak, J. A.
author Valentim, Alexandra
author_facet Valentim, Alexandra
Garcia, Daniel Julio
Plascak, J. A.
author_role author
author2 Garcia, Daniel Julio
Plascak, J. A.
author2_role author
author
dc.subject.none.fl_str_mv Magnetic phase transitions
Quantum phase transitions
Molecular magnets
topic Magnetic phase transitions
Quantum phase transitions
Molecular magnets
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The global magnetic phase diagram for fused azulene oligomers is obtained by using a fermionic Hubbard model, which is an intermediate between the molecular Pariser-Parr-Pople empiric Hamiltonian and the spin-1/2 antiferromagnetic Heisenberg model. We employ the density matrix renormalization group (DMRG) approach to explore the ground state properties of azulene-like molecules as a function of the electronic correlation and the oligomer size. It is shown that, depending on the length of the oligomer, fused azulene transitions from a singlet (S=0) to a higher-spin (S=1,2) ground state. Near the quantum magnetic phase transition the electric dipole moment, present on fused azulene molecules, couples with the magnetic moment leading to a divergent magnetoelectric susceptibility at the boundary lines of the magnetic phase diagram. These spontaneous electric and magnetic polarizations, together with the magnetoelectric coupling between them, indeed corroborate that these fused azulene oligomers can be viewed as a purely organic multiferroic material, being a magnetoelectric molecule.
Fil: Valentim, Alexandra. Universidade Estadual da Paraiba; Brasil. Universidade Federal de Minas Gerais; Brasil. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Garcia, Daniel Julio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro | Universidad Nacional de Cuyo. Instituto Balseiro. Archivo Histórico del Centro Atómico Bariloche e Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Plascak, J. A.. University of Georgia; Estados Unidos. Universidade Federal de Minas Gerais; Brasil. Universidade Estadual da Paraiba; Brasil
description The global magnetic phase diagram for fused azulene oligomers is obtained by using a fermionic Hubbard model, which is an intermediate between the molecular Pariser-Parr-Pople empiric Hamiltonian and the spin-1/2 antiferromagnetic Heisenberg model. We employ the density matrix renormalization group (DMRG) approach to explore the ground state properties of azulene-like molecules as a function of the electronic correlation and the oligomer size. It is shown that, depending on the length of the oligomer, fused azulene transitions from a singlet (S=0) to a higher-spin (S=1,2) ground state. Near the quantum magnetic phase transition the electric dipole moment, present on fused azulene molecules, couples with the magnetic moment leading to a divergent magnetoelectric susceptibility at the boundary lines of the magnetic phase diagram. These spontaneous electric and magnetic polarizations, together with the magnetoelectric coupling between them, indeed corroborate that these fused azulene oligomers can be viewed as a purely organic multiferroic material, being a magnetoelectric molecule.
publishDate 2022
dc.date.none.fl_str_mv 2022-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/214472
Valentim, Alexandra; Garcia, Daniel Julio; Plascak, J. A.; Magnetoelectric coupling on fused azulene oligomers; American Physical Society; Physical Review B; 105; 17; 5-2022; 1-8
2469-9950
2469-9969
CONICET Digital
CONICET
url http://hdl.handle.net/11336/214472
identifier_str_mv Valentim, Alexandra; Garcia, Daniel Julio; Plascak, J. A.; Magnetoelectric coupling on fused azulene oligomers; American Physical Society; Physical Review B; 105; 17; 5-2022; 1-8
2469-9950
2469-9969
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.105.174426
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
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:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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