Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT

Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT

Superconductivity with a remarkably high T_{c} has recently been observed in hole-doped NdNiO_{2}, a material that shares similarities with the high-T_{c} cuprates. This discovery promises new insights into the mechanism of unconventional superconductivity, but at the modeling level, there are funda...

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Autores principales: Francesco Petocchi, Viktor Christiansson, Fredrik Nilsson, Ferdi Aryasetiawan, Philipp Werner
Formato: article
Lenguaje:EN
Publicado: American Physical Society 2020
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QC1-999
Acceso en línea:https://doaj.org/article/c5d61363b6824fa7b6a44f8791fe00dd
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spelling oai:doaj.org-article:c5d61363b6824fa7b6a44f8791fe00dd2021-12-02T12:17:09ZNormal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT10.1103/PhysRevX.10.0410472160-3308https://doaj.org/article/c5d61363b6824fa7b6a44f8791fe00dd2020-12-01T00:00:00Zhttp://doi.org/10.1103/PhysRevX.10.041047http://doi.org/10.1103/PhysRevX.10.041047https://doaj.org/toc/2160-3308Superconductivity with a remarkably high T_{c} has recently been observed in hole-doped NdNiO_{2}, a material that shares similarities with the high-T_{c} cuprates. This discovery promises new insights into the mechanism of unconventional superconductivity, but at the modeling level, there are fundamental issues that need to be resolved. While it is generally agreed that the low-energy properties of cuprates can, to a large extent, be captured by a single-band model, there has been a controversy in the recent literature about the importance of a multiband description of the nickelates. Here, we use a multisite extension of the recently developed GW+EDMFT method, which is free of adjustable parameters, to self-consistently compute the interaction parameters and electronic structure of hole-doped NdNiO_{2}. This full ab initio simulation demonstrates the importance of a multiorbital description, even for the undoped compound, and it produces results for the resistivity and Hall conductance in qualitative agreement with experiment.Francesco PetocchiViktor ChristianssonFredrik NilssonFerdi AryasetiawanPhilipp WernerAmerican Physical SocietyarticlePhysicsQC1-999ENPhysical Review X, Vol 10, Iss 4, p 041047 (2020)
institution DOAJ
collection DOAJ
language EN
topic Physics
QC1-999
spellingShingle Physics
QC1-999
Francesco Petocchi
Viktor Christiansson
Fredrik Nilsson
Ferdi Aryasetiawan
Philipp Werner
Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT
description Superconductivity with a remarkably high T_{c} has recently been observed in hole-doped NdNiO_{2}, a material that shares similarities with the high-T_{c} cuprates. This discovery promises new insights into the mechanism of unconventional superconductivity, but at the modeling level, there are fundamental issues that need to be resolved. While it is generally agreed that the low-energy properties of cuprates can, to a large extent, be captured by a single-band model, there has been a controversy in the recent literature about the importance of a multiband description of the nickelates. Here, we use a multisite extension of the recently developed GW+EDMFT method, which is free of adjustable parameters, to self-consistently compute the interaction parameters and electronic structure of hole-doped NdNiO_{2}. This full ab initio simulation demonstrates the importance of a multiorbital description, even for the undoped compound, and it produces results for the resistivity and Hall conductance in qualitative agreement with experiment.
format article
author Francesco Petocchi
Viktor Christiansson
Fredrik Nilsson
Ferdi Aryasetiawan
Philipp Werner
author_facet Francesco Petocchi
Viktor Christiansson
Fredrik Nilsson
Ferdi Aryasetiawan
Philipp Werner
author_sort Francesco Petocchi
title Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT
title_short Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT
title_full Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT
title_fullStr Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT
title_full_unstemmed Normal State of Nd_{1-x}Sr_{x}NiO_{2} from Self-Consistent GW+EDMFT
title_sort normal state of nd_{1-x}sr_{x}nio_{2} from self-consistent gw+edmft
publisher American Physical Society
publishDate 2020
url https://doaj.org/article/c5d61363b6824fa7b6a44f8791fe00dd
work_keys_str_mv AT francescopetocchi normalstateofnd1xsrxnio2fromselfconsistentgwedmft
AT viktorchristiansson normalstateofnd1xsrxnio2fromselfconsistentgwedmft
AT fredriknilsson normalstateofnd1xsrxnio2fromselfconsistentgwedmft
AT ferdiaryasetiawan normalstateofnd1xsrxnio2fromselfconsistentgwedmft
AT philippwerner normalstateofnd1xsrxnio2fromselfconsistentgwedmft
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