Single-layer T'-type nickelates: Ni1+ is Ni1+
| hal.structure.identifier | Università degli Studi di Cagliari = University of Cagliari [UniCa] | |
| dc.contributor.author | BERNARDINI, Fabio | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | DEMOURGUES, Alain | |
| hal.structure.identifier | Théorie de la Matière Condensée [NEEL - TMC] | |
| dc.contributor.author | CANO, Andrés | |
| dc.date.issued | 2021 | |
| dc.identifier.issn | 2475-9953 | |
| dc.description.abstractEn | The discovery of superconductivity in the infinite-layer nickelates has opened new perspectives in the context of quantum materials. We analyze, via first-principles calculations, the electronic properties of La2NiO3F—the first single-layer T'-type nickelate—and compare these properties with those of related nickelates and isostructural cuprates. We find that La2NiO3F is essentially a single-band system with a Fermi surface dominated by the Ni-3dx2−y2 states with an exceptional 2D character. In addition, the hopping ratio is similar to that of the highest Tc cuprates and there is a remarkable eg splitting together with a charge transfer energy of 3.6 eV. According to these descriptors, along with a comparison to Nd2CuO4, we thus indicate single-layer T'-type nickelates of this class as very promising analogs of cupratelike physics while keeping distinct Ni1+ features. | |
| dc.description.sponsorship | Novel As/Se-free Iron-based Superconductors - ANR-18-CE30-0018 | |
| dc.language.iso | en | |
| dc.publisher | American Physical Society | |
| dc.title.en | Single-layer T'-type nickelates: Ni1+ is Ni1+ | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1103/PhysRevMaterials.5.L061801 | |
| dc.subject.hal | Chimie/Matériaux | |
| dc.identifier.arxiv | 2106.05225 | |
| bordeaux.journal | Physical Review Materials | |
| bordeaux.page | L061801 | |
| bordeaux.volume | 5 | |
| bordeaux.issue | 6 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-03269024 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-03269024v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Physical%20Review%20Materials&rft.date=2021&rft.volume=5&rft.issue=6&rft.spage=L061801&rft.epage=L061801&rft.eissn=2475-9953&rft.issn=2475-9953&rft.au=BERNARDINI,%20Fabio&DEMOURGUES,%20Alain&CANO,%20Andr%C3%A9s&rft.genre=article |
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