Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}

Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}

The demonstration of superconductivity in nickelate analogs of high T_{c} cuprates provides new perspectives on the physics of correlated electron materials. The degree to which the nickelate electronic structure is similar to that of cuprates is an important open question. This paper presents resul...

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Autores principales: Jonathan Karp, Antia S. Botana, Michael R. Norman, Hyowon Park, Manuel Zingl, Andrew Millis
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Lenguaje:EN
Publicado: American Physical Society 2020
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Acceso en línea:https://doaj.org/article/6684942d4c7646578198c9c595d83afc
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spelling oai:doaj.org-article:6684942d4c7646578198c9c595d83afc2021-12-02T11:54:46ZMany-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}10.1103/PhysRevX.10.0210612160-3308https://doaj.org/article/6684942d4c7646578198c9c595d83afc2020-06-01T00:00:00Zhttp://doi.org/10.1103/PhysRevX.10.021061http://doi.org/10.1103/PhysRevX.10.021061https://doaj.org/toc/2160-3308The demonstration of superconductivity in nickelate analogs of high T_{c} cuprates provides new perspectives on the physics of correlated electron materials. The degree to which the nickelate electronic structure is similar to that of cuprates is an important open question. This paper presents results of a comparative study of the many-body electronic structure and theoretical phase diagram of the isostructural materials CaCuO_{2} and NdNiO_{2}. Both NdNiO_{2} and CaCuO_{2} are found to be charge transfer materials. Important differences include the proximity of the oxygen 2p bands to the Fermi level, the bandwidth of the transition metal-derived 3d bands, and the presence, in NdNiO_{2}, of both Nd-derived 5d states crossing the Fermi level and a van Hove singularity that crosses the Fermi level as the out-of-plane momentum is varied. The low-energy physics of NdNiO_{2} is found to be that of a single Ni-derived correlated band, with additional accompanying weakly correlated bands of Nd-derived states that dope the Ni-derived band. The effective correlation strength of the Ni-derived d band crossing the Fermi level in NdNiO_{2} is found to be greater than that of the Cu-derived d band in CaCuO_{2}, but the predicted magnetic transition temperature of NdNiO_{2} is substantially lower than that of CaCuO_{2} because of the smaller bandwidth.Jonathan KarpAntia S. BotanaMichael R. NormanHyowon ParkManuel ZinglAndrew MillisAmerican Physical SocietyarticlePhysicsQC1-999ENPhysical Review X, Vol 10, Iss 2, p 021061 (2020)
institution DOAJ
collection DOAJ
language EN
topic Physics
QC1-999
spellingShingle Physics
QC1-999
Jonathan Karp
Antia S. Botana
Michael R. Norman
Hyowon Park
Manuel Zingl
Andrew Millis
Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}
description The demonstration of superconductivity in nickelate analogs of high T_{c} cuprates provides new perspectives on the physics of correlated electron materials. The degree to which the nickelate electronic structure is similar to that of cuprates is an important open question. This paper presents results of a comparative study of the many-body electronic structure and theoretical phase diagram of the isostructural materials CaCuO_{2} and NdNiO_{2}. Both NdNiO_{2} and CaCuO_{2} are found to be charge transfer materials. Important differences include the proximity of the oxygen 2p bands to the Fermi level, the bandwidth of the transition metal-derived 3d bands, and the presence, in NdNiO_{2}, of both Nd-derived 5d states crossing the Fermi level and a van Hove singularity that crosses the Fermi level as the out-of-plane momentum is varied. The low-energy physics of NdNiO_{2} is found to be that of a single Ni-derived correlated band, with additional accompanying weakly correlated bands of Nd-derived states that dope the Ni-derived band. The effective correlation strength of the Ni-derived d band crossing the Fermi level in NdNiO_{2} is found to be greater than that of the Cu-derived d band in CaCuO_{2}, but the predicted magnetic transition temperature of NdNiO_{2} is substantially lower than that of CaCuO_{2} because of the smaller bandwidth.
format article
author Jonathan Karp
Antia S. Botana
Michael R. Norman
Hyowon Park
Manuel Zingl
Andrew Millis
author_facet Jonathan Karp
Antia S. Botana
Michael R. Norman
Hyowon Park
Manuel Zingl
Andrew Millis
author_sort Jonathan Karp
title Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}
title_short Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}
title_full Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}
title_fullStr Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}
title_full_unstemmed Many-Body Electronic Structure of NdNiO_{2} and CaCuO_{2}
title_sort many-body electronic structure of ndnio_{2} and cacuo_{2}
publisher American Physical Society
publishDate 2020
url https://doaj.org/article/6684942d4c7646578198c9c595d83afc
work_keys_str_mv AT jonathankarp manybodyelectronicstructureofndnio2andcacuo2
AT antiasbotana manybodyelectronicstructureofndnio2andcacuo2
AT michaelrnorman manybodyelectronicstructureofndnio2andcacuo2
AT hyowonpark manybodyelectronicstructureofndnio2andcacuo2
AT manuelzingl manybodyelectronicstructureofndnio2andcacuo2
AT andrewmillis manybodyelectronicstructureofndnio2andcacuo2
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