Chalcogen-height dependent magnetic interactions and magnetic order switching in FeSe${}_x$Te${}_{1-x}$

Abstract

Magnetic properties of iron chalcogenide superconducting materials are investigated using density functional calculations. We find the stability of magnetic phases is very sensitive to the height of chalcogen species from the Fe plane: while FeTe with optimized Te height has the double-stripe-type $(\pi ,0)$ magnetic ordering, the single-stripe-type $(\pi ,\pi )$ ordering becomes the ground state phase when Te height is lowered below a critical value by, e.g., Se doping. This behavior is understood by opposite Te-height dependences of the superexchange interaction and a longer-range magnetic interaction mediated by itinerant electrons. We also demonstrate a linear temperature dependence of the macroscopic magnetic susceptibility in the single-stripe phase in contrast to a constant behavior in the double-stripe phase. Our findings provide a comprehensive and unified view to understand the magnetism in FeSe${}_x$Te${}_{1-x}$ and iron pnictide superconductors.

4 pages, 4 figures

References in corpus (12)

• Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity
• Extreme Sensitivity of Superconductivity to Stoichiometry in FeSe (Fe1+dSe)
• First-order magnetic and structural phase transitions in Fe${}_{1+y}$Se${}_x$Te${}_{1-x}$
• Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition
• Bi-collinear antiferromagnetic order in the tetragonal $\alpha$-FeTe
• Spin Gap and Resonance at the Nesting Wavevector in Superconducting FeSe0.4Te0.6
• Fermi surface topology and low-lying quasiparticle dynamics of parent Fe${}_{1+x}$Te/Se Superconductor by orbital-polarization resolved ARPES
• Theory of the Magnetic Moment in Iron Pnictides
• Doping Driven ($\pi ,0$) Nesting and Magnetic Properties of Fe${}_{1+x}$Te Superconductors
• Character of magnetic instabilities in CaFe2As2
• Enhanced spin density wave in LaOFeSb
• Quantum critical behavior driven by Hund's rule coupling in quantum antiferromagnets

Cited by in corpus (72)

• The Puzzle of High Temperature Superconductivity in Layered Iron Pnictides and Chalcogenides
• The crystal structure of FeSe0.44Te0.56
• Unified Picture for Magnetic Correlations in Iron-Based Superconductors
• From antiferromagnetism to superconductivity in Fe 1+y(Te1-x,Sex) (0 < x < 0.20): a neutron powder diffraction analysis
• Maximizing Tc by tuning nematicity and magnetism in FeSe1-xSx superconductors
• Interplay between magnetism and superconductivity in iron-chalcogenide superconductors: crystal growth and characterizations
• Suppression of Superconductivity by Twin Boundaries in FeSe
• Spin waves in the $(\pi ,0)$ magnetically ordered iron chalcogenide Fe${}_{1.05}$Te
• Tuning the superconducting and magnetic properties in Fe_ySe_0.25Te_0.75 by varying the Fe-content
• Strong Pressure Dependent Electron-Phonon Coupling in FeSe
• Evidence of local structural inhomogeneity in FeSe(1-x)Te(x) from extended x-ray absorption fine structure
• Magnetic interactions in iron superconductors: A review
• Control of tetrahedral coordination and superconductivity in FeSe0.5Te0.5 thin films
• Superconductivity, Antiferromagnetism, and Neutron Scattering
• Revealing the Empty-State Electronic Structure of Single-Unit-Cell FeSe/SrTiO${}_3$
• Atomically Resolved FeSe/SrTiO3(001) Interface Structure by Scanning Transmission Electron Microscopy
• A study of electronic structure of FeSe${}_{1-x}$Te${}_x$ chalcogenides by Fe and Se K-edge x-ray absorption near edge structure measurements
• High-Tc Superconductivity near the Anion Height Instability in Fe-based Superconductors: Analysis of LaFeAsO${}_{1-x}$H${}_x$
• The phase diagrams of iron-based superconductors: theory and experiments
• 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)
• Disappearance of static magnetic order and evolution of spin fluctuations in Fe${}_{1+\delta }$Se${}_x$Te${}_{1-x}$
• Anomalous optical phonons in FeTe pnictides: spin state, magnetic order, and lattice anharmonicity
• Unabridged phase diagram for single-phased FeSexTe1-x thin films
• Antiferromagnetic order in epitaxial FeSe films on SrTiO3
• High energy pseudogap and its evolution with doping in Fe-based superconductors as revealed by optical spectroscopy
• Microstructural magnetic phases in superconducting FeTe0.65Se0.35
• Crucial role of out-of-plane Sb-$p$ orbitals in Van Hove singularity formation and electronic correlation for superconducting Kagome metal CsV${}_3$Sb${}_5$
• Spatial Inhomogeneity of the Superconducting Gap and Order Parameter in FeSe_{0.4}Te_{0.6}
• Gap opening and orbital modification of superconducting FeSe above the structural distortion
• Superconductivity and magnetism in RbxFe2-ySe2: Impact of thermal treatment on mesoscopic phase separation
• Evolution of two-step structural phase transition in Fe1+dTe detected by low-temperature x-ray diffraction
• Hydrothermal synthesis and complete phase diagram of FeSe${}_{1-x}$S${}_x$ $(0\le x\le 1)$ single crystals
• Coupling of electronic and magnetic properties in Fe1+y(Te1-xSex)
• Ab initio Studies of Magnetism in the Iron Chalcogenides FeTe and FeSe
• The substitution effects on electronic structure of iron selenide superconductors
• The influence of spin-phonon coupling on antiferromagnetic spin fluctuations in FeSe under pressure: the First-principles calculations with van der Waals corrections
• Magnetic interactions in iron superconductors studied with a five-orbital model within the Hartree-Fock and Heisenberg approximations
• Incommensurate Magnetism in FeAs Strips: Neutron Scattering from CaFe${}_4$As${}_3$
• Novel Insulating Magnetism in Vacancy-Ordered K2Fe4Se5
• Evolution from $B_{2g}$ nematics to $B_{1g}$ nematics in heavily hole-doped iron-based superconductors
• In-plane optical spectroscopy study on FeSe epitaxial thin film grown on SrTiO${}_3$ substrate
• Heavily Hydride-ion-doped 1111-type Iron-based Superconductors: Synthesis, Physical Properties and Electronic Structure
• Hidden $(\pi ,0)$ instability as an itinerant origin of bicollinear antiferromagnetism in Fe${}_{1+x}$Te
• Chalcogen Height Dependence of Magnetism and Fermiology in FeTe_xSe_{1-x}
• Nanoscale textured superconductivity in Ru-substituted BaFe2As2 : a challenge to a universal phase diagram for the pnictides
• Theoretical investigation of FeTe magnetic ordering under hydrostatic pressure
• Superconductivity in PbO-type Fe chalcogenides
• Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe${}_{1-x}$Se${}_x$
• Neutron Scattering Measurements of Spatially Anisotropic Magnetic Exchange Interactions in Semiconducting K0.85Fe1.54Se2 (TN=280 K)
• Correlation Driven Phonon Anomalies in Bulk FeSe
• Temperature dependent local structure of NdFeAsO1-xFx system using arsenic K-edge extended x-ray absorption fine structure
• Magnetic order tuned by Cu substitution in Fe1.1-zCuzTe
• Common origin of the two types of magnetic fluctuations in iron chalcogenides
• Magnetic phase transitions and superconductivity in strained FeTe
• Origin of doping-induced suppression and reemergence of magnetism in LaFeAsO${}_{1-x}$H${}_x$
• Coexistence of superconductivity and magnetism in K0.8Fe2Se1.4S0.4
• Electron-phonon interaction in Fe-based superconductors: Coupling of magnetic moments with phonons in LaFeAsO${}_{1-x}$F${}_x$
• Investigation of correlation effects in FeSe and FeTe by LDA + U method
• Probing the direct factor for superconductivity in FeSe-Based Superconductors by Raman Scattering
• Brief review on iron-based superconductors: are there clues for unconventional superconductivity?
• Se content $x$ dependence of electron correlation strength in Fe${}_{1+y}$Te${}_{1-x}$Se${}_x$
• Magnetic neutron scattering studies on the Fe-based superconductor system Fe${}_{1+y}$Te${}_{1-x}$Se${}_x$
• CuFeAs: A New Member in the 111-Family of Iron-Pnictides
• Role of electric fields on enhanced electron correlation in surface-doped FeSe
• First-principles study of magnetism, lattice dynamics, and superconductivity in LaFeSiH${}_x$
• Magnetism and Superconductivity of S-substituted FeTe
• Electronic structure of ruthenium-doped iron chalcogenides
• Tracing magnetism and pairing in FeTe-based systems
• Breakdown of the Hund's Rule in CuFeAs
• Magnetic softness in iron-based superconductors
• Filling the holes in the CaFe${}_4$As${}_3$ structure: synthesis and magnetism of CaCo${}_5$As${}_3$
• Unified Spin Model for Magnetic Excitations in Iron Chalcogenides