Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations

Abstract

We perform realistic first-principles calculations of iron chalcogenides and ruthenate based materials to identify experimental signatures of Hund's coupling induced correlations in these systems. We find that FeTe and K${}_x$Fe${}_{2-y}$Se${}_2$ display unusual orbital dependent fractional powerlaw behavior in their quasiparticle self energy and optical conductivity, a phenomena first identified in SrRuO${}_3$. Strong incoherence in the paramagnetic state of these materials results in electronic states hidden to angle-resolved photoemission spectroscopy which reemerge at low temperatures. We identify the effective low energy Hamiltonian describing these systems and show that these anomalies are not controlled by the proximity to a quantum critical point but result from coexistence of fast quantum mechanical orbital fluctuations and slow spin fluctuations.

arXiv commentPhys. Rev. B 86, 195141 (2012), two typos corrected

References in corpus (41)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• A continuous-time solver for quantum impurity models
• Electrodynamics of Correlated Electron Materials
• Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Dynamical Mean-Field Theory within the Full-Potential Methods: Electronic structure of Ce-115 materials
• Correlated electronic structure of LaOFeAs
• Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
• Electronic correlations in the iron pnictides
• Janus-faced influence of the Hund's rule coupling in strongly correlated materials
• Magnetism and Charge Dynamics in Iron Pnictides
• Spin freezing transition and non-Fermi-liquid self-energy in a 3-orbital model
• The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
• Theoretical evidence for strong correlations and incoherent metallic state in FeSe
• Satellites and large doping- and temperature-dependence of electronic properties in hole-doped BaFe2As2
• Unified Picture for Magnetic Correlations in Iron-Based Superconductors
• Coherence-Incoherence and Dimensional Crossover in Layered Strongly Correlated Metals
• Systematic trends in the electronic structure parameters of 4d transition metal oxides SrMO_{3} (M = Zr, Mo, Ru, and Rh)
• Microscopic origin of magnetism and magnetic interactions in ferropnictides
• On the Structure of Vacancy Ordered Superconducting Alkali Metal Iron Selenide
• Dichotomy between large local and small ordered magnetic moment in Iron-based superconductors
• Temperature dependence of the Kondo resonance and its satellites in CeCu_2Si_2
• Effects of correlation in LiFeAs
• Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors
• Kondo resonance narrowing in d- and f-electron systems
• Quantum criticality in the iron pnictides and chalcogenides
• Ab initio Evidence for Strong Correlation Associated with Mott Proximity in Iron-based Superconductors
• Gutzwiller density functional calculations of the electronic structure of FeAs-based superconductors: Evidence for a three-dimensional Fermi surface
• Neutron scattering Measurements of the phonon density of states of FeSe${}_{1-x}$ superconductors
• Transport and superconducting properties of Fe-based superconductors: SmFeAs(O1-x Fx) versus Fe1+y (Te1-x, Sex)
• From antiferromagnetic insulator to correlated metal in pressurized and doped LaMnPO
• High energy pseudogap and its evolution with doping in Fe-based superconductors as revealed by optical spectroscopy
• Gutzwiller theory of band magnetism in LaOFeAs
• Electronic correlations in iron-pnictide superconductors and beyond; what can we learn from optics
• Optical spectroscopy study on single crystalline LaFeAsO
• Electron correlation and spin density wave order in iron pnictides
• Unconventional Mott Transition in KxFe2-ySe2
• High-energy pseudogap in degenerate Hubbard model induced via Hund coupling
• Local Quantum Criticality of an Iron-Pnictide Tetrahedron
• Normal state charge dynamics of Fe1.06Te0.88S0.14 superconductor probed with infrared spectroscopy
• Magnetic softness in iron-based superconductors

Cited by in corpus (105)

• Emergence of the nematic electronic state in FeSe
• Selective Mottness as a key to iron superconductors
• Ironing out the details of unconventional superconductivity
• Observation of universal strong orbital-dependent correlation effects in iron chalcogenides
• Spin dynamics and an orbital-antiphase pairing symmetry in iron-based superconductors
• Evidence of Strong Correlations and Coherence-Incoherence Crossover in the Iron Pnictide Superconductor KFe2As2
• Orbital-selective Mott Phase in Multiorbital Models for Alkaline Iron Selenides K(1-x)Fe(2-y)Se2
• DMFT+NRG study of spin-orbital separation in a three-band Hund's metal
• Orbital-dependent Fermi Surface shrinking as a fingerprint of nematicity in FeSe
• Non-perturbative methodologies for low-dimensional strongly-correlated systems: From non-abelian bosonization to truncated spectrum methods
• Superconductivity from emerging magnetic moments
• Spin-Orbit Coupling and Electronic Correlations in Sr2RuO4
• Electronic correlations in Hund metals
• Forces for Structural Optimizations in Correlated Materials within DFT+Embedded DMFT Functional Approach
• Interatomic Coulomb interaction and electron nematic bond order in FeSe
• Thermopower and Entropy: lessons from Sr${}_2$RuO${}_4$
• Magnetic interactions in iron superconductors: A review
• Transport properties of Metallic Ruthenates: a DFT+DMFT investigation
• Quenched pair breaking by interlayer correlations as a key to superconductivity in La${}_3$Ni${}_2$O${}_7$
• Signatures of Mottness and Hundness in archetypal correlated metals
• Orbital-selective superconductivity, gap anisotropy and spin resonance excitations in a multiorbital t-J1-J2 model for iron pnictides
• Experimental Observation of Incoherent-Coherent Crossover and Orbital Dependent Band Renormalization in Iron Chalcogenide Superconductors
• Non-Thermal Emergence of an Orbital-Selective Mott Phase in FeTe${}_{1-x}$Se${}_x$
• Correlation-Driven Electronic Reconstruction in FeTe${}_{1-x}$Se${}_x$
• Low-energy electronic properties of clean CaRuO${}_3$: elusive Landau quasiparticles
• Shining light on transition metal oxides: unveiling the hidden Fermi Liquid
• Non-Fermi Liquid and Hund Correlation in La${}_4$Ni${}_3$O${}_{10}$ under High Pressure
• Orbital-selective Mott phase in multiorbital models for iron pnictides and chalcogenides
• Orbital-differentiated coherence-incoherence crossover identified by photoemission spectroscopy in LiFeAs
• Correlation-driven topological Fermi surface transition in FeSe
• Ferro-orbital ordering transition in iron telluride Fe${}_{1+y}$Te
• Analytic theory of Hund's metals: a renormalization group perspective
• Pairing Mechanism in Hunds Metal Superconductors and the Universality of the Superconducting Gap to Critical Temperature Ratio
• Orbital selectivity in electron correlations and superconducting pairing of iron-based superconductors
• Structure of spin excitations in heavily electron-doped Li0.8Fe0.2ODFeSe superconductors
• Is the orbital-selective Mott phase stable against interorbital hopping?
• The role of 245 phase in alkaline iron selenide superconductors revealed by high pressure studies
• Pairing and non-Fermi liquid behavior in partially flat-band systems
• Studying the Perturbed Wess-Zumino-Novikov-Witten SU(2)k Theory Using the Truncated Conformal Spectrum Approach
• Low-energy physics of three-orbital impurity model with Kanamori interaction
• Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion
• Electronic correlations in the van der Waals ferromagnet Fe${}_3$GeTe${}_2$ revealed by its charge dynamics
• Correlation strength, Lifshitz transition and the emergence of a two- to three-dimensional crossover in FeSe under pressure
• Non-Fermi-liquid scattering rates and anomalous band dispersion in ferropnictides
• $\mathrm{F}{\mathrm{e}}_3\mathrm{GeT}{\mathrm{e}}_2$: A site-differentiated Hund metal
• State- and superstate-sampling in hybridization-expansion continuous-time quantum Monte Carlo
• Quantum phase transition between orbital-selective Mott states in Hund's metals
• Differentiating Hund from Mott physics in a three-band Hubbard-Hund model: Temperature dependence of spectral, transport, and thermodynamic properties
• Decoupled Pairing Amplitude and Electronic Coherence in Iron-Based Superconductors
• Orbital-dependent effects of electron correlations in microscopic models for iron-based superconductors
• LDA+DMFT approach to ordering phenomena and the structural stability of correlated materials
• Hund physics landscape of two-orbital system
• Correlation-corrected band topology and topological surface states in iron-based superconductors
• Signatures of Hundness in Kagome Metals
• Analytical slave-spin mean-field approach to orbital selective Mott insulators
• Unconventional Hund Metal in a Weak Itinerant Ferromagnet
• Rigorous symmetry adaptation of multiorbital rotationally invariant slave-boson theory with application to Hund's rules physics
• Incoherent-coherent crossover and the pseudogap in Te-annealed superconducting Fe${}_{1+y}$Te${}_{1-x}$Se${}_x$ revealed by magnetotransport measurements
• Heavy Electron doping-induced antiferromagnetic phase as the parent for iron-oxypnictide superconductor LaFeAsO1-xHx
• La${}_2$O${}_3$Fe${}_2$Se${}_2$, a Mott insulator on the brink of orbital-selective metalization
• Temperature-induced band selective localization and coherent-incoherent crossover in single-layer FeSe/Nb:BaTiO3 /KTaO3
• Molecular Mott state in the deficient spinel GaV${}_4$S${}_8$
• Spin-orbit coupling and correlations in three-orbital systems
• Global phase diagram of a spin-orbital Kondo impurity model and the suppression of Fermi-liquid scale
• Orbital Selective Mott Transition Effects and Non-Trivial Topology of Iron Chalcogenide
• Uncovering Non-Fermi-Liquid Behavior in Hund Metals: Conformal Field Theory Analysis of an SU(2)$\times$SU(3) Spin-Orbital Kondo Model
• Kondo interaction in FeTe and its potential role in the magnetic order
• Correlated electronic structure, orbital-dependent correlations, and Lifshitz transition in tetragonal FeS
• Orbital-selective spin waves in detwinned NaFeAs
• Correlation Driven Phonon Anomalies in Bulk FeSe
• Optical properties and electronic structure of the nonmetallic metal FeCrAs
• Spin-orbit coupling in three-orbital Kanamori impurity model and its relevance for transition-metal oxides
• Realization of continuously electron doping in bulk iron selenides and identification of a new superconducting zone
• Cation Order Control of Correlations in Double Perovskite Sr${}_2$VNbO${}_6$
• Interplay between band structure and Hund's correlation to increase T${}_c$ in FeSe
• High pressure growth and electron transport properties of superconducting SmFeAsO1-xHx single crystals
• Emergent moments in a Hund's impurity
• Magnetic moment evolution and spin freezing in doped BaFe${}_2$As${}_2$
• Observation of an Emergent Coherent State in the Iron-Based Superconductor KFe${}_2$As${}_2$
• Persistent flat band splitting and strong selective band renormalization in a kagome magnet thin film
• Switching between Mott-Hubbard and Hund physics in moiré quantum simulators
• Breakdown of single spin-fluid model in heavily hole-doped superconductor CsFe2As2
• Nonlocal Coulomb interaction and spin-freezing crossover as a route to valence-skipping charge order
• Observation of a Hidden Hole-Like Band Approaching the Fermi Level in K-Doped Iron Selenide Superconductor
• Non-Fermi-liquid behavior in cubic phase BaRuO${}_3$: A dynamical mean-field study
• Influence of Lifshitz transitions and correlation effects on the scattering rates of the charge carriers in iron-based superconductors
• Temperature dependence of correlated electronic states in archetypal kagome metal CoSn
• Spin freezing and the Sachdev-Ye model
• Electronic Structure of Fe${}_{1.08}$Te bulk crystals and epitaxial FeTe thin films on Bi${}_2$Te${}_3$
• Fermi surface, pressure-induced antiferromagnetic order, and superconductivity in FeSe
• Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs
• Low-energy perspective on two-orbital Hund metals and the case of LaNiO2
• Novel $J_{\mathrm{eff}}$=3/2 Metallic Phase and Unconventional Superconductivity in GaTa${}_4$Se${}_8$
• Emergent spin-glass state in the doped Hund's metal CsFe2As2
• Signatures of Hund Metal and finite-frequency nesting in Sr${}_2$RuO${}_4$ Revealed by Electronic Raman Scattering
• Frozen spin ratio and the detection of Hund correlations
• Interplay of charge and spin fluctuations in a Hund's coupled impurity
• Electronic structure and magnetism of the Hund insulator CrI3
• Entropy and specific heat of the infinite-dimensional three-orbital Hubbard model
• Electronic Correlations and Absence of Superconductivity in the Collapsed Phase of LaFe${}_2$As${}_2$
• Crystalline anisotropy induces a second antiferromagnetic phase in the absence of SDW in the heavily hydrogen-doped LaFeAsO${}_{1-x}$H${}_x$ $(x\sim 0.5)$
• Hole doping and electronic correlations in Cr-substituted BaFe${}_2$As${}_2$
• Triplet pairing, orbital selectivity and correlations in Iron-based superconductors
• On the bad metallicity and phase diagrams of Fe${}_{1+\delta }X$ ($X$ =Te, Se, S, solid solutions): an electrical resistivity study
• Electronic phase diagram in Te-annealed superconducting FeTe${}_{1-x}$Se${}_x$ revealed by magnetic susceptibility