Superconductivity and its mechanism in an ab initio model for electron-doped LaFeAsO

Abstract

Two families of high temperature superconductors whose critical temperatures are higher than 50K are known. One is the copper oxides and the other is the iron-based superconductors. Comparisons of mechanisms between these two in terms of common ground as well as distinctions will greatly help in searching for higher Tc superconductors. However, studies on mechanisms for the iron family based on first principles calculations are few. Here we first show that the superconductivity emerges in the state-of-the-art numerical calculations for an ab initio multi-orbital model of an electron-doped iron-based superconductor LaFeAsO, in accordance with experimental observations. Then the mechanism of the superconductivity is identified as enhanced uniform density fluctuations by one-to-one correspondence with the instability toward inhomogeneity driven by first-order antiferromagnetic and nematic transitions. Despite many differences, certain common features with the copper oxides are also figured out in terms of the underlying orbital selective Mottness found in the iron family.

16 pages, 10 figures

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Cited by in corpus (22)

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• Exploration of new superconductors and functional materials and fabrication of superconducting tapes and wires of iron pnictides
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• Heavily Hydride-ion-doped 1111-type Iron-based Superconductors: Synthesis, Physical Properties and Electronic Structure
• Superconductivity studied by solving ab initio low-energy effective Hamiltonians for carrier doped CaCuO${}_2$, Bi${}_2$Sr${}_2$CuO${}_6$, Bi${}_2$Sr${}_2$CaCu${}_2$O${}_8$, and HgBa${}_2$CuO${}_4$
• Ab initio Derivation of Low-Energy Hamiltonians for Systems with Strong Spin-Orbit Interaction and Its Application to Ca5Ir3O12
• What Can Quantum Information Theory Offer to Quantum Chemistry?
• Hund's metal crossover and superconductivity in the 111 family of iron-based superconductors
• Enhancement of charge instabilities in Hund's metals by the breaking of rotational symmetry
• Importance of dxy orbital and electron correlation in iron-based superconductors revealed by phase diagram for 1111-system
• Superconductivity in bilayer $t$-$t^{\prime }$ Hubbard models
• Data-driven determination of the spin Hamiltonian parameters and their uncertainties: The case of the zigzag-chain compound KCu${}_4$P${}_3$O${}_{12}$
• Ab initio extended Hubbard model of short polyenes for efficient quantum computing
• Resonant Inelastic X-Ray Scattering Spectra of Cuprate Superconductors Predicted by Model of Fractionalized Fermions
• Data analysis of $ab$ $initio$ effective Hamiltonians in iron-based superconductors $\unicode{x2014}$ Construction of predictors for superconducting critical temperature
• Quantum many-body solver using artificial neural networks and its applications to strongly correlated electron systems
• Multipole representation for anisotropic Coulomb interactions
• Quantum criticality of bandwidth-controlled Mott transition
• Intertwined superconductivity and orbital selectivity in a three-orbital Hubbard model for the iron pnictides
• Optimized Implementation for Calculation and Fast-Update of Pfaffians Installed to the Open-Source Fermionic Variational Solver mVMC
• Observation of the bands with $d_{xy}$ orbital character near the Fermi level in NdFeAs${}_{1-x}$P${}_x$O${}_{0.9}$F${}_{0.1}$ using angle-resolved photoemission spectroscopy
• Vortices in a Ginzburg Landau Theory of Superconductors with Nematic Order