Magnetism and Charge Dynamics in Iron Pnictides

Abstract

In a wide variety of materials, such as copper oxides, heavy fermions, organic salts, and the recently discovered iron pnictides, superconductivity is found in close proximity to a magnetically ordered state. The character of the proximate magnetic phase is thus believed to be crucial for understanding the differences between the various families of unconventional superconductors and the mechanism of superconductivity. Unlike the AFM order in cuprates, the nature of the magnetism and of the underlying electronic state in the iron pnictide superconductors is not well understood. Neither density functional theory nor models based on atomic physics and superexchange, account for the small size of the magnetic moment. Many low energy probes such as transport, STM and ARPES measured strong anisotropy of the electronic states akin to the nematic order in a liquid crystal, but there is no consensus on its physical origin, and a three dimensional picture of electronic states and its relations to the optical conductivity in the magnetic state is lacking. Using a first principles approach, we obtained the experimentally observed magnetic moment, optical conductivity, and the anisotropy of the electronic states. The theory connects ARPES, which measures one particle electronic states, optical spectroscopy, probing the particle hole excitations of the solid and neutron scattering which measures the magnetic moment. We predict a manifestation of the anisotropy in the optical conductivity, and we show that the magnetic phase arises from the paramagnetic phase by a large gain of the Hund's rule coupling energy and a smaller loss of kinetic energy, indicating that iron pnictides represent a new class of compounds where the nature of magnetism is intermediate between the spin density wave of almost independent particles, and the antiferromagnetic state of local moments.

4+ pages with additional one-page supplementary material

References in corpus (19)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Mott transition in VO2 revealed by infrared spectroscopy and nano-imaging
• LaFeAsO${}_{1-x}$F${}_x$: A low carrier density superconductor near itinerant magnetism
• Spin density wave anomaly at 140 K in the ternary iron arsenide BaFe2As2
• Evidence for an electron nematic phase transition in underdoped iron pnictide superconductors
• Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family
• Dynamical Mean-Field Theory within the Full-Potential Methods: Electronic structure of Ce-115 materials
• Hidden Magnetism and Quantum Criticality in the Heavy Fermion Superconductor CeRhIn5
• Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaOFeAs
• Origin of the spin density wave instability in AFe${}_2$As${}_2$ (A=Ba, Sr) as revealed by optical spectroscopy
• Uniaxial strain detwinning of CaFe2As2 and BaFe2As2: optical and transport study
• Observation of Dirac Cone Electronic Dispersion in BaFe2As2
• Orbital-dependent modifications of electronic structure across magneto-structural transition in BaFe2As2
• Evolution of the optical spectrum with doping in iron pnictides Ba(Fe1-xCox)2As2
• Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors
• Optical spectroscopy study on single crystalline LaFeAsO
• Analysis of spin density wave conductivity spectra of iron pnictides in the framework of density functional theory
• Antiphase magnetic boundaries in iron-based superconductors: A first-principle density-functional theory study
• Exchange Constants and Neutron Spectra of Iron Pnictide Materials

Cited by in corpus (198)

• High-temperature superconductivity in iron-based materials
• Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
• Interface-induced superconductivity and strain-dependent spin density wave in FeSe/SrTiO3 thin films
• First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials
• In-plane electronic anisotropy of underdoped "122" Fe-arsenide superconductors revealed by measurements of detwinned single crystals
• Orbital-selective Dirac fermions and extremely flat bands in frustrated kagome-lattice metal CoSn
• Unprecedented anisotropic metallic state in BaFe2As2 revealed by optical spectroscopy
• Satellites and large doping- and temperature-dependence of electronic properties in hole-doped BaFe2As2
• Spin dynamics and an orbital-antiphase pairing symmetry in iron-based superconductors
• Fe-based superconductors: an angle-resolved photoemission spectroscopy perspective
• Manifestations of nematic degrees of freedom in the magnetic, elastic, and superconducting properties of the iron pnictides
• Symmetry breaking via orbital-dependent reconstruction of electronic structure in uniaxially strained NaFeAs
• Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO
• Iron Displacements and Magnetoelastic Coupling in the Spin-Ladder Compound BaFe2Se3
• Nature of magnetic excitations in superconducting BaFe${}_{1.9}$Ni${}_{0.1}$As${}_2$
• Enhanced superconductivity and evidence for novel pairing in single-layer FeSe on SrTiO3 thin film under large tensile strain
• DMFT+NRG study of spin-orbital separation in a three-band Hund's metal
• Fe-based superconductors: seven years later
• Double-Q spin-density wave in iron arsenide superconductors
• Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations
• On the multi-orbital band structure and itinerant magnetism of iron-based superconductors
• Anisotropic in-plane resistivity in the nematic phase of the iron pnictides
• One-sign order parameter in iron based superconductor
• Electronic nematic susceptibility of iron-based superconductors
• High-Temperature Quantum Anomalous Hall Insulators in Lithium-Decorated Iron-Based Superconductor Materials
• Temperature and bath size in exact diagonalization dynamical mean field theory
• Lifshitz transition and frustration of magnetic moments in infinite-layer NdNiO${}_2$ upon hole-doping
• Strong Pressure Dependent Electron-Phonon Coupling in FeSe
• Complete Fermi surface in BaFe${}_2$As${}_2$ observed via Shubnikov-de Haas oscillation measurements on detwinned single crystals
• Pseudogap formation above the superconducting dome in iron-pnictides
• The magnetic excitation spectra in BaFe${}_2$As${}_2$: a two-particle approach within DFT+DMFT
• Covalency in transition metal oxides within all-electron Dynamical Mean Field Theory
• Orbitally and Magnetically Induced Anisotropy in Iron-based Superconductors
• Electric Transport of a Single Crystal Iron Chalcogenide FeSe Superconductor: Evidence of Symmetry Breakdown Nematicity and Additional Ultrafast Dirac cone-Like Carriers
• Orbital selective pairing and superconductivity in iron selenides
• Hundness versus Mottness in a three-band Hubbard-Hund model: On the origin of strong correlations in Hund metals
• Orbital selectivity and emergent superconducting state from quasi-degenerate $s-$ and $d-$wave pairing channels in iron-based superconductors
• Quantum dynamical screening of the local magnetic moment in Fe-based superconductors
• Magnetic interactions in iron superconductors: A review
• Transport properties of Metallic Ruthenates: a DFT+DMFT investigation
• Orbital selective Fermi surface shifts and mechanism of high T${}_c$ superconductivity in correlated AFeAs (A=Li,Na)
• $i$QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit
• Superconductivity, Antiferromagnetism, and Neutron Scattering
• Ultrafast modulation of the chemical potential in BaFe${}_2$As${}_2$ by coherent phonons
• Effect of Co doping on the in-plane anisotropy in the optical spectrum of underdoped Ba(Fe1-xCox)2As2
• Excitonic Instability at the Spin-State Transition in the Two-Band Hubbard Model
• Orbital differentiation and the role of orbital ordering in the magnetic state of Fe superconductors
• Ab initio downfolding for electron-phonon coupled systems: constrained density-functional perturbation theory (cDFPT)
• How correlated is the FeSe/SrTiO${}_3$ system ?
• From antiferromagnetic insulator to correlated metal in pressurized and doped LaMnPO
• Density Functional plus Dynamical Mean-Field Theory of the Spin-Crossover Molecule Fe(phen)${}_2$(NCS)${}_2$
• Orbital selectivity enhanced by nematic order in FeSe
• Raman scattering study of Spin-Density-Wave order and electron-phonon coupling in Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• High energy pseudogap and its evolution with doping in Fe-based superconductors as revealed by optical spectroscopy
• Unified phase diagram for iron-based superconductors
• Origin of the resistive anisotropy in the electronic nematic phase of BaFe${}_2$As${}_2$ revealed by optical spectroscopy
• Gutzwiller theory of band magnetism in LaOFeAs
• Magnetotransport in La(Fe,Ru)AsO as a probe of band structure and mobility
• Orbital-differentiated coherence-incoherence crossover identified by photoemission spectroscopy in LiFeAs
• Effect of doping on the magnetostructural ordered phase of iron arsenides: A comparative study of the resistivity anisotropy in the doped BaFe${}_2$As${}_2$ with doping into three different sites
• Emergence of Orbital Nematicity in the Tetragonal Phase of BaFe${}_2$(As${}_{1-x}$P${}_x$)${}_2$
• Correlation-driven topological Fermi surface transition in FeSe
• Analytic theory of Hund's metals: a renormalization group perspective
• Optical conductivity and Raman scattering of iron superconductors
• Optical conductivity of iron-based superconductors
• Itinerancy enhanced quantum fluctuation of magnetic moments in iron-based superconductors
• First-principles study of magnetic properties in Fe-ladder compound BaFe2S3
• Importance of many body effects in the kernel of hemoglobin for ligand binding
• Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO
• Competing collinear magnetic structures in superconducting FeSe by first principles quantum Monte Carlo calculations
• Angle-resolved photoemission study of the role of nesting and orbital orderings in the antiferromagnetic phase of BaFe2As2
• Spin-orbital interplay and topology in the nematic phase of iron pnictides
• Coexistence of ferromagnetic and stripe antiferromagnetic spin fluctuations in SrCo${}_2$As${}_2$
• Extended Drude model and role of interband transitions in the mid-infrared spectra of pnictides
• Anisotropic in-plane optical conductivity in detwinned Ba(Fe1-xCox)2As2
• Two-dimensional Massless Dirac Fermions in Antiferromagnetic AFe2As2 (A = Ba, Sr)
• Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion
• Phonon anomalies in FeS
• Effect of epitaxial strain on the electronic structure and magnetic correlations in infinite-layer (Nd,Sr)NiO${}_2$
• Electronic correlations in the van der Waals ferromagnet Fe${}_3$GeTe${}_2$ revealed by its charge dynamics
• Phonon splitting and anomalous enhancement of infrared-active modes in BaFe${}_2$As${}_2$
• A comparative study of the electronic and magnetic properties of BaFe_2As_2 and BaMn_2As_2 using the Gutzwiller approximation
• On infrared pseudogap in cuprate and pnictide high-temperature superconductors
• BaFe2Se2O as an Iron-Based Mott Insulator with Antiferromagnetic Order
• Correlation strength, Lifshitz transition and the emergence of a two- to three-dimensional crossover in FeSe under pressure
• Pressure Suppression of Electron Correlation in the Collapsed Tetragonal Phase of $CaF{e}_{2}A{s}_2$ : A DFT-DMFT Investigation
• Collapse of critical nematic fluctuations in FeSe under pressure
• Doping Induced Spin State Transition in LaCoO3: Dynamical Mean-Field Study
• Spin and Orbital Characters of Excitations in Iron Arsenide Superconductors Revealed by Simulated Fe L-Edge RIXS
• $\mathrm{F}{\mathrm{e}}_3\mathrm{GeT}{\mathrm{e}}_2$: A site-differentiated Hund metal
• Low-energy interband transitions in the infrared response of Ba(Fe1-xCox)2As2
• Hole-doping-induced melting of spin-state ordering in PrBaCo2O5.5+x
• Eliashberg theory for spin-fluctuations mediated superconductivity -- Application to bulk and monolayer FeSe
• Orbitally selective breakdown of Fermi liquid quasiparticles in Ca${}_{1.8}$Sr${}_{0.2}$RuO${}_4$
• Electronic structure and spin dynamics of ACo2As2 (A=Ba, Sr, Ca)
• Influence of magnetic ordering on the spectral properties of binary transition metal oxides
• Differentiating Hund from Mott physics in a three-band Hubbard-Hund model: Temperature dependence of spectral, transport, and thermodynamic properties
• Electronic nematicity in FeSe: a first-principles perspective
• Effects of Lifshitz Transition on Charge Transport in Magnetic Phases of Fe-Based Superconductors
• Magnetic interactions in iron superconductors studied with a five-orbital model within the Hartree-Fock and Heisenberg approximations
• Optical properties of $A$Fe${}_2$As${}_2$ ($A=$Ca, Sr, and Ba) single crystals
• High-energy pseudogap in degenerate Hubbard model induced via Hund coupling
• LDA+DMFT approach to ordering phenomena and the structural stability of correlated materials
• Hund physics landscape of two-orbital system
• Novel Insulating Magnetism in Vacancy-Ordered K2Fe4Se5
• Optical Conductivity Anisotropy in the Undoped Three-Orbital Hubbard Model for the Pnictides
• Correlation, doping and interband effects on the optical conductivity of iron superconductors
• Role of rotational symmetry in the magnetism of a multiorbital model
• Effect of magnetism on lattice dynamics in SrFe${}_2$As${}_2$ as seen via high resolution inelastic x-ray scattering
• Magnetic states of the five-orbital Hubbard model for one-dimensional iron-based superconductors
• First Principles Study of CaFe2As2 "Collapse" Under Pressure
• Local Quantum Criticality of an Iron-Pnictide Tetrahedron
• Orbital-dependent self-energy effects and consequences for the superconducting gap structure in multi-orbital correlated electron systems
• Uncovering Non-Fermi-Liquid Behavior in Hund Metals: Conformal Field Theory Analysis of an SU(2)$\times$SU(3) Spin-Orbital Kondo Model
• Fermi surface and effective masses in photoemission response of the (Ba${}_{1-x}$K${}_x$)Fe${}_2$As${}_2$ superconductor
• Detecting a preformed pair phase: The response to a pairing forcing field
• Correlated electronic structure, orbital-dependent correlations, and Lifshitz transition in tetragonal FeS
• Quasiclassical description of a superconductor with a spin density wave
• Correlation Driven Phonon Anomalies in Bulk FeSe
• Electronic transport and magnetism in the alternating stack of metallic and highly frustrated magnetic layers in Co${}_{1/3}$NbS${}_2$
• Heavy-fermions in frustrated Hund's metal with portions of incipient flat-bands
• Optical study of Dirac fermions and related phonon anomalies in antiferromagnetic compound CaFeAsF
• Phase stability and large in-plane resistivity in the 112-type iron-based superconductor Ca${}_{1-x}$La${}_x$FeAs${}_2$
• Origin of doping-induced suppression and reemergence of magnetism in LaFeAsO${}_{1-x}$H${}_x$
• Realization of continuously electron doping in bulk iron selenides and identification of a new superconducting zone
• Ru-doping on iron based pnictides: the "unfolded" dominant role of structural effects for superconductivity
• Coupling of the A_{1g} As-phonon to magnetism in iron pnictides
• Raman scattering study of spin-density-wave-induced anisotropic electronic properties in AFe2As2 (A=Ca,Eu)
• Mechanism of magnetic phase transition in correlated magnetic metal: insight into itinerant ferromagnet Fe${}_{3-\delta }$GeTe${}_2$
• Orbital selective phase transition induced by different magnetic states: A dynamical cluster approximation study
• Observation of an Emergent Coherent State in the Iron-Based Superconductor KFe${}_2$As${}_2$
• Study for material analogs of FeSb${}_2$: material design for thermoelectric materials
• Optical observation of spin-density-wave fluctuations in Ba122 iron-based superconductors
• Mobility spectrum analytical approach for intrinsic band picture of Ba(FeAs)${}_2$
• Nonlocal Coulomb interaction and spin-freezing crossover as a route to valence-skipping charge order
• Validity of the Local Approximation in Iron- Pnictides and Chalcogenides
• Brief review on iron-based superconductors: are there clues for unconventional superconductivity?
• Comprehensive study of out-of-plane transport properties in BaFe${}_2$As${}_2$: Three-dimensional electronic state and effect of chemical substitution
• Origin of the DC and AC conductivity anisotropy in iron-based superconductors: scattering rate versus spectral weight effects
• Spin density wave order and fluctuations in Mn3Si: a transport study
• Damped spin-wave excitations in the itinerant antiferromagnet $\gamma$-Fe${}_{0.7}$Mn${}_{0.3}$
• Suppression of backward scattering of Dirac fermions in iron pnictides Ba(Fe${}_{1-x}$Ru${}_x$As)${}_2$
• Temperature-induced Change in the Fermi Surface Topology in the Spin Density Wave Phase of Sr(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Kondo-like mass enhancement of Dirac fermion in iron pnictides Ba(Fe${}_{1-x}$Mn${}_x$As)${}_2$
• Quantum Criticality in the 122 Iron Pnictide Superconductors Emerging from Orbital-Selective Mottness
• Protected Fe valence in quasi-two dimensional $\alpha$-FeSi${}_2$
• Quasiparticle characteristics of the weakly ferromagnetic Hund's metal MnSi
• Orbital localization and the role of the Fe and As $4p$ orbitals in BaFe${}_2$As${}_2$ probed by XANES
• Tuning orbital-selective phase transitions in a two-dimensional Hund's correlated system
• Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs
• Multipolar ordering from dynamical mean field theory with application to CeB6
• Unravelling the mechanism of the semiconducting-like behavior and its relation to superconductivity in (CaFe${}_{1-x}$Pt${}_x$As)${}_{10}$Pt${}_3$As${}_8$
• Anomalous magneto-elastic coupling in Au-doped BaFe2As2
• Optical and photoemission investigation of structural and magnetic transitions in the iron-based superconductor Sr${}_{0.67}$Na${}_{0.33}$Fe${}_2$As${}_2$
• Unraveling the origin of Kondo-like behavior in the 3$d$-electron heavy-fermion compound YFe${}_2$Ge${}_2$
• Spin glass in semiconducting KFe${}_{1.05}$Ag${}_{0.88}$Te${}_2$ single crystals
• Electronic Scattering Effects in Europium-Based Iron Pnictides
• Orbital-selective bad metals due to Hund's rule and orbital anisotropy: a finite-temperature slave-spin treatment of the two-band Hubbard model
• Electronic structure and quantum criticality in Ba(Fe${}_{1-x-y}$Co${}_x$Mn${}_y$)${}_2$As${}_2$, an ARPES study
• Ab initio study on heavy-fermion behavior in LiV${}_2$O${}_4$: Role of Hund's coupling and stability
• Effects of orbital selective dynamical correlation on the spin susceptibility and superconducting symmetries in Sr${}_2$RuO${}_4$
• Theoretical study on the anisotropic electronic structure of antiferromagnetic BaFe${}_2$As${}_2$ and Co-doped Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$ seen by angle-resolved photoemission
• Strong charge and spin fluctuations in La${}_2$O${}_3$Fe${}_2$Se${}_2$
• Itinerant scenario for Fe-pnictides: comparison with quantum Monte Carlo
• Orbital-selective correlations and renormalized electronic structure in LiFeAs
• Vibrational anomalies in AFe${}_2$As${}_2$ (A$=$Ca, Sr, and Ba) single crystals
• Drude weight anisotropy in the doped iron pnictides: the primary role of orbital weight redistribution along the reconstructed Fermi surfaces
• Distinct Nature of Orbital Selective Mott Phases Dominated by the Low-energy Local Spin Fluctuations
• Electronic structure and magnetism of the Hund insulator CrI3
• Single 20meV boson mode in KFe2As2 detected by point-contact spectroscopy
• Uniaxial $c$-axis pressure effects on underdoped BaFe${}_2$(As${}_{0.72}$P${}_{0.28}$)${}_2$ superconductor
• Comparative analysis of methods for calculating Hubbard parameters using cRPA
• Spin and charge susceptibilities of the two-orbital model within the cluster perturbation theory for Fe-based materials
• Electronic and spin dynamics in the insulating iron pnictide NaFe${}_{0.5}$Cu${}_{0.5}$As
• Orbitally-selective Breakdown of the Fermi Liquid and Simultaneous Enhancement of Metallic and Insulating States in Correlated Multi-band Systems with Spin-orbit Coupling
• Fast multi-orbital equation of motion impurity solver for dynamical mean field theory
• c-axis pressure induced antiferromagnetic order in optimally P-doped BaFe2(As0.70P0.30)2 superconductor
• Multi-orbital quantum antiferromagnetism in iron pnictides --- effective spin couplings and quantum corrections to sublattice magnetization
• Transient gap generation in BaFe${}_2$As${}_2$ driven by coherent lattice vibrations
• A topological Hund nodal line antiferromagnet
• The Hund's Superconductor Li(Fe,Co)As
• Breakdown of the Hund's Rule in CuFeAs
• An investigation of the interrelationship between pressure and correlation in LaFeAsO under pressure
• Density Matrix Embedding Theory and Strongly Correlated Lattice Systems
• Crystalline anisotropy induces a second antiferromagnetic phase in the absence of SDW in the heavily hydrogen-doped LaFeAsO${}_{1-x}$H${}_x$ $(x\sim 0.5)$
• Linear scaling relation between two-dimensional massless Dirac fermion Fermi velocity and Fe-As bond length in iron arsenide superconductor systems
• Thermodynamics of $s_{\pm }-to-s_{++}$ transition in iron pnictides in the vicinity of the Born limit
• Hole doping and electronic correlations in Cr-substituted BaFe${}_2$As${}_2$
• Emergence of the minority hole with high mobility on the electrical transport in the Fe-pnictides Ba(Fe${}_{1-x}$Mn${}_x$As)${}_2$
• Two-orbital quantum spin model of magnetism in the iron pnictides
• The role of magnetic excitations in magnetoresistance and Hall effect of slightly TM-substituted BaFe${}_2$As${}_2$ compounds (TM = Mn, Cu, Ni)
• Magnetotransport properties in the magnetic phase of BaFe${}_{2-x}$T${}_x$As${}_2$ (T = Co,Ni): A magnetic excitations approach
• Optical and transport properties of Ba(Fe${}_{1-x}$Ni${}_x$)${}_2$As${}_2$ films
• Magneto-orbital coupling in iron pnictides
• Hund's coupling and electronic anisotropy in the spin-density wave state of iron pnictides
• Strong local moment antiferromagnetic spin fluctuations in V-doped LiFeAs
• Critical point of the transition between $s_{\pm }$ and $s_{++}$ states of a two-band superconductor with nonmagnetic impurities
• Self-regulated growth of candidate topological superconducting parkerite by molecular beam epitaxy