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.

Intertwined Superconductivity and Orbital Selectivity in a Three-Orbital Hubbard Model for the Iron Pnictides / Marino, Vito; Scazzola, Alberto; Becca, Federico; Capone, Massimo; Tocchio, Luca F.. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 134:19(2025). [10.1103/physrevlett.134.196502]

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

Marino, Vito;Scazzola, Alberto;Tocchio, Luca F.
2025

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.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11583/3001998