Unified description of cuprate superconductors using a four-band d-p model

In the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the superconducting transition temperature T_{c}. The preceding theoretical and experimental studies have provided an overall pi...

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Main Authors: Hiroshi Watanabe, Tomonori Shirakawa, Kazuhiro Seki, Hirofumi Sakakibara, Takao Kotani, Hiroaki Ikeda, Seiji Yunoki
Format: Article
Language:English
Published: American Physical Society 2021-08-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.3.033157
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author Hiroshi Watanabe
Tomonori Shirakawa
Kazuhiro Seki
Hirofumi Sakakibara
Takao Kotani
Hiroaki Ikeda
Seiji Yunoki
author_facet Hiroshi Watanabe
Tomonori Shirakawa
Kazuhiro Seki
Hirofumi Sakakibara
Takao Kotani
Hiroaki Ikeda
Seiji Yunoki
author_sort Hiroshi Watanabe
collection DOAJ
description In the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the superconducting transition temperature T_{c}. The preceding theoretical and experimental studies have provided an overall picture of the phase diagram, and some important parameters for the T_{c}, such as the contribution of the Cu d_{z^{2}} orbital to the Fermi surface and the site-energy difference Δ_{dp} between the Cu d_{x^{2}−y^{2}} and O p orbitals. However, they are somewhat empirical and limited in scope, always including exceptions, and do not provide a comprehensive view of the series of cuprates. Here we propose a four-band d-p model as a minimal model to study material dependence in cuprates. Using the variational Monte Carlo method, we theoretically investigate the phase diagram for the La_{2}CuO_{4} and HgBa_{2}CuO_{4} systems and the correlation between the key parameters and the superconductivity. Our results comprehensively account for the empirical correlation between T_{c} and model parameters, and thus can provide a guideline for new material design. We also show that the effect of the nearest-neighbor d-d Coulomb interaction V_{dd} is actually quite important for the stability of superconductivity and phase competition.
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spelling doaj.art-79604615c08342ee8f847e6b2b27b5962024-04-12T17:12:56ZengAmerican Physical SocietyPhysical Review Research2643-15642021-08-013303315710.1103/PhysRevResearch.3.033157Unified description of cuprate superconductors using a four-band d-p modelHiroshi WatanabeTomonori ShirakawaKazuhiro SekiHirofumi SakakibaraTakao KotaniHiroaki IkedaSeiji YunokiIn the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the superconducting transition temperature T_{c}. The preceding theoretical and experimental studies have provided an overall picture of the phase diagram, and some important parameters for the T_{c}, such as the contribution of the Cu d_{z^{2}} orbital to the Fermi surface and the site-energy difference Δ_{dp} between the Cu d_{x^{2}−y^{2}} and O p orbitals. However, they are somewhat empirical and limited in scope, always including exceptions, and do not provide a comprehensive view of the series of cuprates. Here we propose a four-band d-p model as a minimal model to study material dependence in cuprates. Using the variational Monte Carlo method, we theoretically investigate the phase diagram for the La_{2}CuO_{4} and HgBa_{2}CuO_{4} systems and the correlation between the key parameters and the superconductivity. Our results comprehensively account for the empirical correlation between T_{c} and model parameters, and thus can provide a guideline for new material design. We also show that the effect of the nearest-neighbor d-d Coulomb interaction V_{dd} is actually quite important for the stability of superconductivity and phase competition.http://doi.org/10.1103/PhysRevResearch.3.033157
spellingShingle Hiroshi Watanabe
Tomonori Shirakawa
Kazuhiro Seki
Hirofumi Sakakibara
Takao Kotani
Hiroaki Ikeda
Seiji Yunoki
Unified description of cuprate superconductors using a four-band d-p model
Physical Review Research
title Unified description of cuprate superconductors using a four-band d-p model
title_full Unified description of cuprate superconductors using a four-band d-p model
title_fullStr Unified description of cuprate superconductors using a four-band d-p model
title_full_unstemmed Unified description of cuprate superconductors using a four-band d-p model
title_short Unified description of cuprate superconductors using a four-band d-p model
title_sort unified description of cuprate superconductors using a four band d p model
url http://doi.org/10.1103/PhysRevResearch.3.033157
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AT hirofumisakakibara unifieddescriptionofcupratesuperconductorsusingafourbanddpmodel
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