Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe${}_2$S${}_3$: combined ab initio and density matrix renormalization group study

Abstract

The recent discovery of superconductivity under high pressure in the two-leg ladder compound BaFe${}_2$S${}_3$ [H. Takahashi et al., Nature Materials 14, 1008 (2015)] opens a broad avenue of research, because it represents the first report of pairing tendencies in a quasi one-dimensional iron-based high critical temperature superconductor. Similarly as in the case of the cuprates, ladders and chains can be far more accurately studied using many-body techniques and model Hamiltonians than their layered counterparts, particularly if several orbitals are active. In this publication, we derive a two-orbital Hubbard model from first principles that describes individual ladders of BaFe${}_2$S${}_3$. The model is studied with the density matrix renormalization group. These first reported results are exciting for two reasons: (i) at half-filling, ferromagnetic order emerges as the dominant magnetic pattern along the rungs of the ladder, and antiferromagnetic order along the legs, in excellent agreement with neutron experiments; (ii) pairs form in the strong coupling regime, as found by studying the binding energy of two holes doped on the half-filled system. In addition, Orbital Selective Mott Phase characteristics develop with doping, with only one Wannier orbital receiving the hole carriers while the other remains half-filled. These results suggest that the analysis of models for iron-based two-leg ladders could clarify the origin of pairing tendencies and other exotic properties of iron-based high critical temperature superconductors.

References in corpus (8)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Strong electronic correlations from Hund's coupling
• Magnetism and its microscopic origin in iron-based high-temperature superconductors
• Topological phases in ultracold polar-molecule quantum magnets
• Evidence for Strong Itinerant Spin Fluctuations in the Normal State of CeFeAsO(0.89)F(0.11) Iron-Oxypnictides
• Magnetic States of the Two-Leg Ladder Alkali Metal Iron Selenides $A$Fe${}_2$Se${}_3$
• Robust d-wave Pairing Correlations in the Heisenberg Kondo Lattice Model
• Magnetic states of the five-orbital Hubbard model for one-dimensional iron-based superconductors

Cited by in corpus (31)

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• Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La${}_3$Ni${}_2$O${}_6$ under pressure: different role of $d_{3z^2-r^2}$ orbital compared with La${}_3$Ni${}_2$O${}_7$
• Fingerprints of an Exotic Orbital-Selective Mott Phase in the Block Magnetic State of BaFe${}_2$Se${}_3$ Ladders
• Flat Bands and Ferrimagnetic Order in Electronically Correlated Dice-Lattice Ribbons
• Non-local correlations in the orbital selective Mott phase of a one dimensional multi-orbital Hubbard model
• Pairing Tendencies in a Two-orbital Hubbard Model in One Dimension
• Iron telluride ladder compounds: Predicting the structural and magnetic properties of BaFe${}_2$Te${}_3$
• Gradual Enhancement of Stripe-Type Antiferromagnetism in Spin Ladder Material BaFe${}_2$S${}_3$ Under Pressure
• Interaction-induced topological phase transition and Majorana edge states in low-dimensional orbital-selective Mott insulators
• Pair-density-wave superconductor from doping Haldane chain and rung-singlet ladder
• Magnetic states of iron-based two-leg ladder tellurides
• Origin of the Magnetic and Orbital ordering in $\alpha$-Sr${}_2$CrO${}_4$
• Polar State induced by Block-type Lattice Distortions in BaFe2Se3 with Quasi-One-Dimensional Ladder Structure
• Emergence of Superconductivity in Doped Multiorbital Hubbard Chains
• Magnetic excitation spectra of strongly correlated quasi-one dimensional systems: Heisenberg versus Hubbard-like behavior
• Block orbital-selective Mott insulators: a spin excitation analysis
• Prediction of exotic magnetic states in the alkali metal quasi-one-dimensional iron selenide compound Na${}_2$FeSe${}_2$
• Strong electronic correlations and Fermi surface reconstruction in the quasi-one dimensional iron superconductor BaFe2S3
• Non-superconducting electronic ground state in pressurized BaFe${}_2$S${}_3$ and BaFe${}_2$S${}_{2.5}$Se${}_{0.5}$
• Magnetic-order-driven metal-insulator transitions in the quasi-one-dimensional spin-ladder compounds BaFe${}_2$S${}_3$ and BaFe${}_2$Se${}_3$
• Phase competition in a one-dimensional three-orbital Hubbard-Holstein model
• Renormalization group analysis for the quasi-1D superconductor BaFe${}_2$S${}_3$
• Structural, magnetic, and electronic evolution of the spin-ladder system BaFe${}_2$S${}_{3-x}$Se${}_x$ with isoelectronic substitution
• Dichotomy Between Orbital and Magnetic Nematic Instabilities in BaFe2S3
• Intertwined charge, spin, and pairing orders in doped iron ladders
• Thermal Properties of Rung Disordered Two-leg Quantum Spin Ladders: Quantum Monte Carlo Study
• Thermodynamic properties of disordered quantum spin ladders
• Coupled Hubbard ladders at weak coupling: Pairing and spin excitations
• Intertwined charge, spin, and orbital degrees of freedom under electronic correlations in the one-dimensional Fe${}^{3+}$ chalcogenide chain
• PhD Thesis: Electronic correlations in multiorbital systems