Multiorbital Nature of Doped Sr_{2}IrO_{4}.


Journal

Physical review letters
ISSN: 1079-7114
Titre abrégé: Phys Rev Lett
Pays: United States
ID NLM: 0401141

Informations de publication

Date de publication:
21 Jul 2023
Historique:
received: 27 01 2023
accepted: 27 06 2023
medline: 4 8 2023
pubmed: 4 8 2023
entrez: 4 8 2023
Statut: ppublish

Résumé

The low-energy j_{eff}=1/2 band of Sr_{2}IrO_{4} bears stark resemblances with the x^{2}-y^{2} band of La_{2}CuO_{4}, and yet no superconductivity has been found so far by doping Sr_{2}IrO_{4}. Behind such a behavior could be inherent failures of the j_{eff}=1/2 picture, in particular when electrons or holes are introduced in the IrO_{2} planes. In view of this, here we reanalyze the j_{eff}=1/2 scenario. By using the local-density approximation plus dynamical mean-field theory approach, we show that the form of the effective j_{eff}=1/2 state is surprisingly stable upon doping. This supports the j_{eff}=1/2 picture. We show that, nevertheless, Sr_{2}IrO_{4} remains in essence a multiorbital system: The hybridization with the j_{eff}=3/2 orbitals sizably reduces the Mott gap by enhancing orbital degeneracy, and part of the holes go into the j_{eff}=3/2 channels. These effects cannot be reproduced by a simple effective screened Coulomb repulsion. In the optical conductivity spectra, multiorbital processes involving the j_{eff}=3/2 states contribute both to the Drude peak and to relatively low-energy features.

Identifiants

pubmed: 37540852
doi: 10.1103/PhysRevLett.131.036504
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

036504

Auteurs

Guoren Zhang (G)

School of Sciences, Nantong University, Nantong, 226019, People's Republic of China.
Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei 230031, People's Republic of China.

Eva Pavarini (E)

Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich, Germany.
JARA High-Performance Computing, Forschungszentrum Jülich, 52425 Jülich, Germany.

Classifications MeSH