Influence of electrons on the electronic band structure of rare-earth nickelates

2023
journal article
article
3
cris.lastimport.wos2024-04-09T22:12:50Z
dc.abstract.enRecently, superconductivity was discovered in the infinite layer of hole-doped nickelates NdNiO$_{2}$. Contrary to this, superconductivity in LaNiO$_{2}$ is still under debate. This indicates the crucial role played by the $f$ electrons on the electronic structure and the pairing mechanism of infinite-layer nickelates. Here, we discuss the role of the electron correlations in the $f$ electron states and their influence on the electronic structure. We show that the lattice parameters are in good agreement with the experimental values, independent of the chosen parameters within the DFT+U approach. Increasing Coulomb interaction U tends to shift the $f$ states away from the Fermi level. Surprisingly, independently of the position of $f$ states with respect to the Fermi energy, these states play an important role in the electronic band structure, which can be reflected in the modification of the NdNiO$_{2}$ effective models.pl
dc.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki Teoretycznejpl
dc.contributor.authorPtok, Andrzejpl
dc.contributor.authorBasak, Surajitpl
dc.contributor.authorPiekarz, Przemysławpl
dc.contributor.authorOleś, Andrzej - 100024 pl
dc.date.accessioned2023-02-22T16:41:35Z
dc.date.available2023-02-22T16:41:35Z
dc.date.issued2023pl
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.number1pl
dc.description.versionostateczna wersja wydawcy
dc.description.volume8pl
dc.identifier.articleid19pl
dc.identifier.doi10.3390/condmat8010019pl
dc.identifier.eissn2410-3896pl
dc.identifier.urihttps://ruj.uj.edu.pl/xmlui/handle/item/308180
dc.languageengpl
dc.language.containerengpl
dc.rightsUdzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa*
dc.rights.licenceCC-BY
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/legalcode.pl*
dc.share.typeotwarte czasopismo
dc.subject.en$f$ electronspl
dc.subject.enrare earth nickelatespl
dc.subject.enelectronic propertiespl
dc.subtypeArticlepl
dc.titleInfluence of $f$ electrons on the electronic band structure of rare-earth nickelatespl
dc.title.journalCondensed Matterpl
dc.typeJournalArticlepl
dspace.entity.typePublication
cris.lastimport.wos
2024-04-09T22:12:50Z
dc.abstract.enpl
Recently, superconductivity was discovered in the infinite layer of hole-doped nickelates NdNiO$_{2}$. Contrary to this, superconductivity in LaNiO$_{2}$ is still under debate. This indicates the crucial role played by the $f$ electrons on the electronic structure and the pairing mechanism of infinite-layer nickelates. Here, we discuss the role of the electron correlations in the $f$ electron states and their influence on the electronic structure. We show that the lattice parameters are in good agreement with the experimental values, independent of the chosen parameters within the DFT+U approach. Increasing Coulomb interaction U tends to shift the $f$ states away from the Fermi level. Surprisingly, independently of the position of $f$ states with respect to the Fermi energy, these states play an important role in the electronic band structure, which can be reflected in the modification of the NdNiO$_{2}$ effective models.
dc.affiliationpl
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki Teoretycznej
dc.contributor.authorpl
Ptok, Andrzej
dc.contributor.authorpl
Basak, Surajit
dc.contributor.authorpl
Piekarz, Przemysław
dc.contributor.authorpl
Oleś, Andrzej - 100024
dc.date.accessioned
2023-02-22T16:41:35Z
dc.date.available
2023-02-22T16:41:35Z
dc.date.issuedpl
2023
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.numberpl
1
dc.description.version
ostateczna wersja wydawcy
dc.description.volumepl
8
dc.identifier.articleidpl
19
dc.identifier.doipl
10.3390/condmat8010019
dc.identifier.eissnpl
2410-3896
dc.identifier.uri
https://ruj.uj.edu.pl/xmlui/handle/item/308180
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights*
Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licence
CC-BY
dc.rights.uri*
http://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.type
otwarte czasopismo
dc.subject.enpl
$f$ electrons
dc.subject.enpl
rare earth nickelates
dc.subject.enpl
electronic properties
dc.subtypepl
Article
dc.titlepl
Influence of $f$ electrons on the electronic band structure of rare-earth nickelates
dc.title.journalpl
Condensed Matter
dc.typepl
JournalArticle
dspace.entity.type
Publication
Affiliations

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