Magnetic states of iron-based two-leg ladder tellurides

Abstract

The recent discovery of superconductivity at high pressure in the two-leg ladder compounds BaFe${}_2{X}_3$ ($X$=S, Se) started the novel field of quasi-one-dimensional iron-based superconductors. In this publication, we use Density Functional Theory (DFT) to predict that the previously barely explored ladder compound RbFe${}_2$Te${}_3$ should be magnetic with a CX-type arrangement involving ferromagnetic rungs and antiferromagnetic legs, at the realistic density of $n=5.5$ electrons per iron. The magnetic state similarity with BaFe${}_2$S${}_3$ suggests that RbFe${}_2$Te${}_3$ could also become superconducting under pressure. Moreover, at $n=6.0$ our DFT phase diagrams (with and without lattice tetramerization) reveal that the stable magnetic states could be either a 2$\times$2 magnetic Block-type, as for $X$=Se, or a previously never observed before CY-type state, with ferromagnetic legs and antiferromagnetic rungs. In the Te-based studies, electrons are more localized than in S, implying that the degree of electronic correlation is enhanced for the Te case.

arXiv comment9pages, 7 figures

References in corpus (42)

• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• The Puzzle of High Temperature Superconductivity in Layered Iron Pnictides and Chalcogenides
• Surprises on the Way from 1D to 2D Quantum Magnets: the Novel Ladder Materials
• Superconductivity in Iron Compounds
• Superconductivity up to 37 K in (A1-xSrx)Fe2As2 with A=K and Cs
• Antiferromagnetic order and spin dynamics in iron-based superconductors
• Magnetism and its microscopic origin in iron-based high-temperature superconductors
• High Temperature Superconductivity in Iron Pnictides and Chalcogenides
• Experiments on Ladders Reveal a Complex Interplay between a Spin-Gapped Normal State and Superconductivity
• A Novel Large Moment Antiferromagnetic Order in K0.8Fe1.6Se2 Superconductor
• The Unexpected Properties of Alkali Metal Iron Selenide Superconductors
• Phase Separation and Magnetic Order in K-doped Iron Selenide Superconductor
• A key role for unusual spin dynamics in ferropnictides
• Pressure-induced Superconductivity in the Iron-based Ladder Material BaFe2S3
• Nematic spin fluid in the tetragonal phase of BaFe2As2
• Iron Displacements and Magnetoelastic Coupling in the Spin-Ladder Compound BaFe2Se3
• Orbital Selective Magnetism in the Spin-Ladder Iron Selenides Ba${}_{1-x}$K${}_x$Fe${}_2$Se${}_3$
• Block magnetism coupled with local distortion in the iron-based spin-ladder compound BaFe2Se3
• Ferromagnetism in Electronic Models for Manganites
• Anisotropy in BaFe2Se3 single crystals with double chains of FeSe tetrahedra
• BaFe${}_2$Se${}_3$: a high $T_{\mathrm{C}}$ magnetic multiferroic with large ferrielectric polarization
• Block magnetic excitations in the orbitally selective Mott insulator BaFe2Se3
• Magnetic States of the Two-Leg Ladder Alkali Metal Iron Selenides $A$Fe${}_2$Se${}_3$
• Spin Glass and Semiconducting Behavior in 1D BaFe2-δSe3 Crystals
• Sequential structural and antiferromagnetic transitions in BaFe${}_2$Se${}_3$ under pressure
• Pressure-driven phase transition from antiferromagnetic semiconductor to nonmagnetic metal in two-leg ladders $A$Fe${}_2$$X$${}_3$ ($A$=Ba or K, $X$=S or Se)
• The magnetic precursor of the pressure-induced superconductivity in Fe-ladder compound
• Spin dynamics of the block orbital-selective Mott phase
• Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe${}_2$S${}_3$: combined ab initio and density matrix renormalization group study
• Fingerprints of an Exotic Orbital-Selective Mott Phase in the Block Magnetic State of BaFe${}_2$Se${}_3$ Ladders
• Novel Magnetic Block States in Low-Dimensional Iron-Based Superconductors
• Ab initio downfolding study of the iron-based ladder superconductor BaFe${}_2$S${}_3$
• First-principles study of magnetic properties in Fe-ladder compound BaFe2S3
• Spin waves and magnetic exchange interactions in the spin ladder compound RbFe${}_2$Se${}_3$
• Pairing Tendencies in a Two-orbital Hubbard Model in One Dimension
• Coexistence of localized and itinerant electrons in BaFe2X3 (X = S and Se) revealed by photoemission spectroscopy
• Gradual Enhancement of Stripe-Type Antiferromagnetism in Spin Ladder Material BaFe${}_2$S${}_3$ Under Pressure
• Bandwidth controlled insulator-metal transition in BaFe${}_2$S${}_3$: A Mössbauer study under pressure
• Polar State induced by Block-type Lattice Distortions in BaFe2Se3 with Quasi-One-Dimensional Ladder Structure
• Strong electronic correlations and Fermi surface reconstruction in the quasi-one dimensional iron superconductor BaFe2S3
• Exchange striction driven magnetodielectric effect and potential photovoltaic effect in polar CaOFeS
• Renormalization group analysis for the quasi-1D superconductor BaFe${}_2$S${}_3$

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