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    Universal quasidegenerate orbital origin of two-dome phases in iron pnictide superconductors

    Da-Yong Liu1,2,*, Zhe Sun3, Feng Lu4, Wei-Hua Wang4, and Liang-Jian Zou2,†

    • 1School of Physical Science and Technology, Nantong University, Nantong 226019, People's Republic of China
    • 2Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei 230031, People's Republic of China
    • 3National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, People's Republic of China
    • 4Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China

    • *Contact author: dyliu@ntu.edu.cn
    • †Contact author: zou@theory.issp.ac.cn

    Phys. Rev. B 112, 014505 – Published 7 July, 2025

    DOI: https://doi.org/10.1103/cdgy-gwyj

    Abstract

    A series of experiments revealed that novel bipartite magnetic and superconducting (SC) phases widely exist in the phase diagrams of iron pnictides and chalcogenides. Nevertheless, the origin of the two-dome magnetic and SC phases in iron-based compounds remains unclear. Here we theoretically investigated the electronic structures, magnetic, and SC properties of three representative iron-based systems, i.e., LaFeAsO1−xHx, LaFeAs1−xPxO, and KFe2As2. We propose a unified quasidegenerate orbital mechanism for the emergence of the two-dome parent magnetic/structural phase and the subsequent two-dome SC phase. It is found that the degenerate in-plane anisotropic dxz/yz orbitals dominate the first magnetic/structural and SC phases, while in-plane isotropic orbitals dxy or d3z2−r2 with quasidegeneracy originating from quasisymmetry drive the emergence of the second magnetic/SC dome phase. Moreover, a matching rule of spin and orbital modes for SC pairing state is proposed in multiorbital iron-based systems. These results imply an orbital-driven mechanism as well as an orbital-selective scenario and shed light on the understanding of the multidome magnetic and SC phases in multiorbital systems.

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