Intertwined Superconductivity and Orbital Selectivity in a Three-Orbital Hubbard Model for the Iron Pnictides

We study a three-orbital Hubbard-Kanamori model relevant for iron-based superconductors using variational wave functions explicitly including spatial correlations and electron pairing. We span the nonmagnetic sector from filling n=4, which is representative of undoped iron-based superconductors, to n=3, where a Mott insulating state with each orbital at half filling is found. In the strong-coupling regime, when the electron density is increased, we find a spontaneous differentiation between the occupation of d_{xz} and d_{yz} orbitals, leading to an orbital-selective state with a nematic character that becomes stronger at increasing density. One of these orbitals stays half filled for all densities while the other one hosts (together with the d_{xy} orbital) the excess of electron density. Most importantly, in this regime long-range pairing correlations appear in the orbital with the largest occupation. Our results highlight a strong link between orbital-selective correlations, nematicity, and superconductivity, which requires the presence of a significant Hund's coupling.

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Publication Details

Journal
Physical Review Letters
Published
2025-05-14
DOI
https://doi.org/10.1103/physrevlett.134.196502
Citations
2
Primary Topic
Iron-based superconductors research
Type
article
Field-Weighted Citation Impact
0.85

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article

Intertwined Superconductivity and Orbital Selectivity in a Three-Orbital Hubbard Model for the Iron Pnictides

Vito Marino, Luca F. Tocchio, Massimo Capone, Federico Becca et al.
2 citations
Physical Review Letters
Iron-based superconductors research
0.85
article

Intertwined Superconductivity and Orbital Selectivity in a Three-Orbital Hubbard Model for the Iron Pnictides

Vito Marino, Luca F. Tocchio, Massimo Capone, Federico Becca, Alberto Scazzola
article en
2 citations

Abstract

We study a three-orbital Hubbard-Kanamori model relevant for iron-based superconductors using variational wave functions explicitly including spatial correlations and electron pairing. We span the nonmagnetic sector from filling n=4, which is representative of undoped iron-based superconductors, to n=3, where a Mott insulating state with each orbital at half filling is found. In the strong-coupling regime, when the electron density is increased, we find a spontaneous differentiation between the occupation of d_{xz} and d_{yz} orbitals, leading to an orbital-selective state with a nematic character that becomes stronger at increasing density. One of these orbitals stays half filled for all densities while the other one hosts (together with the d_{xy} orbital) the excess of electron density. Most importantly, in this regime long-range pairing correlations appear in the orbital with the largest occupation. Our results highlight a strong link between orbital-selective correlations, nematicity, and superconductivity, which requires the presence of a significant Hund's coupling.

Physical Review LettersVol. 134(19)
Scuola Internazionale Superiore di Studi Avanzati (IT), University of Trieste (IT), Politecnico di Torino (IT)
European Commission, Ministero dell'Università e della Ricerca
Openalex Percentile: Top 28%
Iron-based superconductors research
0.85
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