Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ

Autores
Feiguin, A. E.; Helman, Christian; Aligia, Armando Ángel
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We consider a multiband Hubbard model Hm for Cu and O orbitals in Ba2-xSrxCuO3+δ similar to the three-band model for two-dimensional cuprates. The hopping parameters are obtained from maximally localized Wannier functions derived from ab initio calculations. Using the cell perturbation method, we derive both a generalized t-J model HtJ and a one-band Hubbard model HH to describe the low-energy physics of the system. HtJ has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in HH to accurately describe the multiband physics of Hm. Using HtJ and the density matrix renormalization group method, we calculate the wave-vector-resolved photoemission and discuss the relevant features in comparison with recent experiments. In agreement with previous calculations, we find that the addition of an attractive nearest-neighbor interaction of the order of the nearest-neighbor hopping shifts the weight from the 3kF to the holon-folding branch. Kinetic effects also contribute to this process.
Fil: Feiguin, A. E.. University Northeastern; Estados Unidos. Northeastern University; Estados Unidos
Fil: Helman, Christian. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Aligia, Armando Ángel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche; Argentina
Materia
Effective one-band models
Hubbard model
t-J model
photoemission
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:11336/225962
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/225962
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δFeiguin, A. E.Helman, ChristianAligia, Armando ÁngelEffective one-band modelsHubbard modelt-J modelphotoemissionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We consider a multiband Hubbard model Hm for Cu and O orbitals in Ba2-xSrxCuO3+δ similar to the three-band model for two-dimensional cuprates. The hopping parameters are obtained from maximally localized Wannier functions derived from ab initio calculations. Using the cell perturbation method, we derive both a generalized t-J model HtJ and a one-band Hubbard model HH to describe the low-energy physics of the system. HtJ has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in HH to accurately describe the multiband physics of Hm. Using HtJ and the density matrix renormalization group method, we calculate the wave-vector-resolved photoemission and discuss the relevant features in comparison with recent experiments. In agreement with previous calculations, we find that the addition of an attractive nearest-neighbor interaction of the order of the nearest-neighbor hopping shifts the weight from the 3kF to the holon-folding branch. Kinetic effects also contribute to this process.Fil: Feiguin, A. E.. University Northeastern; Estados Unidos. Northeastern University; Estados UnidosFil: Helman, Christian. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaFil: Aligia, Armando Ángel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche; ArgentinaAmerican Physical Society2023-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/225962Feiguin, A. E.; Helman, Christian; Aligia, Armando Ángel; Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ; American Physical Society; Physical Review B; 108; 7; 8-2023; 1-82469-99502469-9969CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.108.075125info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:49:41Zoai:ri.conicet.gov.ar:11336/225962instacron: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:34982025-10-15 14:49:41.825CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
title Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
spellingShingle Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
Feiguin, A. E.
Effective one-band models
Hubbard model
t-J model
photoemission
title_short Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
title_full Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
title_fullStr Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
title_full_unstemmed Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
title_sort Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ
dc.creator.none.fl_str_mv Feiguin, A. E.
Helman, Christian
Aligia, Armando Ángel
author Feiguin, A. E.
author_facet Feiguin, A. E.
Helman, Christian
Aligia, Armando Ángel
author_role author
author2 Helman, Christian
Aligia, Armando Ángel
author2_role author
author
dc.subject.none.fl_str_mv Effective one-band models
Hubbard model
t-J model
photoemission
topic Effective one-band models
Hubbard model
t-J model
photoemission
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We consider a multiband Hubbard model Hm for Cu and O orbitals in Ba2-xSrxCuO3+δ similar to the three-band model for two-dimensional cuprates. The hopping parameters are obtained from maximally localized Wannier functions derived from ab initio calculations. Using the cell perturbation method, we derive both a generalized t-J model HtJ and a one-band Hubbard model HH to describe the low-energy physics of the system. HtJ has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in HH to accurately describe the multiband physics of Hm. Using HtJ and the density matrix renormalization group method, we calculate the wave-vector-resolved photoemission and discuss the relevant features in comparison with recent experiments. In agreement with previous calculations, we find that the addition of an attractive nearest-neighbor interaction of the order of the nearest-neighbor hopping shifts the weight from the 3kF to the holon-folding branch. Kinetic effects also contribute to this process.
Fil: Feiguin, A. E.. University Northeastern; Estados Unidos. Northeastern University; Estados Unidos
Fil: Helman, Christian. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Aligia, Armando Ángel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche; Argentina
description We consider a multiband Hubbard model Hm for Cu and O orbitals in Ba2-xSrxCuO3+δ similar to the three-band model for two-dimensional cuprates. The hopping parameters are obtained from maximally localized Wannier functions derived from ab initio calculations. Using the cell perturbation method, we derive both a generalized t-J model HtJ and a one-band Hubbard model HH to describe the low-energy physics of the system. HtJ has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in HH to accurately describe the multiband physics of Hm. Using HtJ and the density matrix renormalization group method, we calculate the wave-vector-resolved photoemission and discuss the relevant features in comparison with recent experiments. In agreement with previous calculations, we find that the addition of an attractive nearest-neighbor interaction of the order of the nearest-neighbor hopping shifts the weight from the 3kF to the holon-folding branch. Kinetic effects also contribute to this process.
publishDate 2023
dc.date.none.fl_str_mv 2023-08
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/11336/225962
Feiguin, A. E.; Helman, Christian; Aligia, Armando Ángel; Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ; American Physical Society; Physical Review B; 108; 7; 8-2023; 1-8
2469-9950
2469-9969
CONICET Digital
CONICET
url http://hdl.handle.net/11336/225962
identifier_str_mv Feiguin, A. E.; Helman, Christian; Aligia, Armando Ángel; Effective one-band models for the one-dimensional cuprate Ba2-xSrxCuO3+δ; American Physical Society; Physical Review B; 108; 7; 8-2023; 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.108.075125
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
_version_ 1846083019825217536
score 13.22299

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