Interplay between magnetic properties and Fermi surface nesting in iron pnictides

Abstract

The wave-vector q and doping (x,y) dependences of the magnetic energy, iron moment, and effective exchange interactions in LaFeAsO{1-x}F{x} and Ba{1-2y}K{2y}Fe2As2 are studied by self-consistent LSDA calculations for co-planar spin spirals. For the undoped compounds (x=0, y=0), the minimum of the calculated total energy, E(q), is for q corresponding to stripe antiferromagnetic order. Already at low levels of electron doping (x), this minimum becomes flat in LaFeAsO{1-x}F{x} and for x>=5, it shifts to an incommensurate q. In Ba{1-2y}K{2y}Fe2As2, stripe order remains stable for hole doping up to y=0.3. These results are explained in terms of the band structure. The magnetic interactions cannot be accurately described by a simple classical Heisenberg model and the effective exchange interactions fitted to E(q) depend strongly on doping. The doping dependence of the E(q) curves is compared with that of the noninteracting magnetic susceptibility for which similar trends are found.

17 pages, 5 figures

References in corpus (22)

• Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2
• Unconventional sign-reversing superconductivity in LaFeAsO_(1-x)F_x
• Magnetic Order versus superconductivity in the Iron-based layered La(O1-xFx)FeAs systems
• 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
• Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family
• Competing Orders and Spin-Density-Wave Instability in La(O${}_{1-x}$F${}_x$)FeAs
• Superconductivity in iron-based F-doped layered quaternary compound Nd[O1-xFx]FeAs
• Is LaO${}_{1-x}$F${}_x$FeAs an electron-phonon superconductor ?
• Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition
• Superconductivity at 52 K in iron-based F-doped layered quaternary compound Pr[O1-xFx]FeAs
• Electronic Structure and Doping in BaFe${}_2$As${}_2$ and LiFeAs: Density Functional Calculations
• Anisotropic thermodynamic and transport properties of single crystalline (Ba${}_{1-x}$K${}_x$)Fe${}_2$As${}_2$ (x = 0 and 0.45)
• The challenge of unravelling magnetic properties in LaFeAsO
• Coexistence of the spin-density-wave and superconductivity in the (Ba,K)Fe2As2
• Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaOFeAs
• Crystallographic Phase Transition and High-Tc Superconductivity in LaFeAsO:F
• Fermi surface of superconducting LaFePO determined by quantum oscillations
• A possible ground state and its electronic structure of a mother material (LaOFeAs) of new superconductors
• Electronic Structure of Prototype AFe_2As_2 and ReOFeAs High-Temperature Superconductors: a Comparison
• Proximity of LaOFeAs to a magnetic instability
• Dynamic spin susceptibility of paramagnetic spinel LiV2O4

Cited by in corpus (70)

• The Puzzle of High Temperature Superconductivity in Layered Iron Pnictides and Chalcogenides
• Gap symmetry and structure of Fe-based superconductors
• Pairing Symmetry and Pairing State in Ferropnictides: Theoretical Overview
• Ferro-Orbital Order and Strong Magnetic Anisotropy in the Parent Compounds of Iron-Pnictide Superconductors
• Effect of magnetic frustration on nematicity and superconductivity in Fe chalcogenides
• In-plane electronic anisotropy of underdoped "122" Fe-arsenide superconductors revealed by measurements of detwinned single crystals
• Using Gap Symmetry and Structure to Reveal the Pairing Mechanism in Fe-based Superconductors
• Microscopic origin of magnetism and magnetic interactions in ferropnictides
• Consistent model of magnetism in ferropnictides
• Unconventional electronic reconstruction in undoped (Ba,Sr)Fe${}_2$As${}_2$ across the spin density wave transition
• On the multi-orbital band structure and itinerant magnetism of iron-based superconductors
• Symmetry of spin excitation spectra in the tetragonal paramagnetic and superconducting phases of 122-ferropnictides
• Paramagnetic Spin Correlations in CaFe2As2 Single Crystals
• Spin fluctuations in iron pnictides and chalcogenides: From antiferromagnetism to superconductivity
• Relativistic exchange interactions in CrX${}_3$ (X=Cl, Br, I) monolayers
• Dispersive Spin Fluctuations in the near optimally-doped superconductor Ba(Fe1-xCox)2As2 ($x$=0.065)
• Incommensurate spin fluctuations in hole-overdoped superconductor KFe2As2
• Magnetic interactions in iron superconductors: A review
• Strain induced superconductivity in the parent compound BaFe2As2
• Incommensurate magnetic excitations in superconducting LiFeAs
• Spin fluctuations and unconventional pairing in KFe${}_2$As${}_2$
• Stripe Antiferromagnetic Spin Fluctuations in SrCo${}_2$As${}_2$
• Local magnetic anisotropy in BaFe${}_2$As${}_2$: a polarized inelastic neutron scattering study
• Strong pairing at iron $3d_{xz,yz}$ orbitals in hole-doped BaFe${}_2$As${}_2$
• Spin Dynamics of a J1-J2-K Model for the Paramagnetic Phase of Iron Pnictides
• Frustrated local moment models for Fe-pnictide magnetism
• Self-consistent spin-wave theory for a frustrated Heisenberg model with biquadratic exchange in the columnar phase and its application to iron pnictides
• Pressure-induced magnetic transition and volume collapse in FeAs superconductors: An orbital-selective Mott scenario
• Spectral properties of transition metal pnictides and chalcogenides: angle-resolved photoemission spectroscopy and dynamical mean field theory
• Effect of doping and pressure on magnetism and lattice structure of Fe-based superconductors
• Competing Magnetic Fluctuations in Iron Pnictide Superconductors: Role of Ferromagnetic Spin Correlations Revealed by NMR
• Suppression of the structural phase transition and lattice softening in slightly underdoped Ba(1-x)K(x)Fe2As2 with electronic phase separation
• Itinerant Nature of Magnetism in Iron Pnictides: A first principles study
• Electronic and lattice dynamical properties of the iron-based superconductors LiFeAs and NaFeAs
• What is the minimal model of magnetic interactions in Fe-based superconductors?
• Electronic band structure and momentum dependence of the superconducting gap in (Ca, Na)Fe2As2 from angle-resolved photoemission spectroscopy
• Similar zone-center gaps in the low-energy spin-wave spectra of NaFeAs and BaFe2As2
• Analysis of spin density wave conductivity spectra of iron pnictides in the framework of density functional theory
• Inelastic X-ray Scattering Study of superconducting SmFeAs(O${}_{1-x}$F${}_y$) Single Crystals: Evidence for Strong Momentum-Dependent Doping-Induced Renormalizations of Optical Phonons
• Hubbard interactions in iron-based pnictides and chalcogenides: Slater parametrization, screening channels and frequency dependence
• Effects of Disorder in FeSe : An Ab Initio Study
• Bulk electronic structure of optimally doped Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Spin-state Crossover Model for the Magnetism of Iron Pnictides
• Effects of ring exchange interaction on the Neel phase of two-dimensional, spatially anisotropic, frustrated Heisenberg quantum antiferromagnet
• Accurate bare susceptibilities from full-potential $\text{ab initio}$ calculations
• NaAlSi: a self-doped semimetallic superconductor with free electrons and covalent holes
• Double stage nematic bond-ordering above double stripe magnetism: application to BaTi${}_2$Sb${}_2$O
• Magnetic resonance from the interplay of frustration and superconductivity
• Evolution of the multiband RKKY interaction: Application to iron pnictides and chalcogenides
• Non-collinear magnetic ordering in compressed FePd${}_3$ ordered alloy: a first principles study
• Crystal Symmetry and Magnetic Order in Iron Pnictides: a Tight Binding Wannier Function Analysis
• Metastable states in the J1-J2 Ising model
• Kondo interaction in FeTe and its potential role in the magnetic order
• Spin and quadrupolar orders in the spin-1 bilinear-biquadratic model for iron-based superconductors
• Microscopic theory of magnetic detwinning in iron-based superconductors with large-spin rare earths
• Electron-phonon interaction in Fe-based superconductors: Coupling of magnetic moments with phonons in LaFeAsO${}_{1-x}$F${}_x$
• The double life of electrons in magnetic iron pnictides, as revealed by NMR
• Orbital Symmetry and Orbital Excitations in High-$T_c$ Superconductors
• Magnetic spiral induced by strong correlations in MnAu${}_2$
• Strongly anisotropic antiferromagnetic coupling in EuFe2As2 revealed by stress detwinning
• Theoretical investigation of the electronic and magnetic properties of the orthorhombic phase of Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Static and Dynamical Susceptibility of LaO1-xFxFeAs
• 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
• Magnetic detwinning and biquadratic magnetic interaction in EuFe2As2 revealed by 153Eu NMR
• Importance of Itinerancy and Quantum Fluctuations for the Magnetism in Iron Pnictides
• Study of the hyperfine fields in the BaFe${}_2$As${}_2$ family and its relation to the magnetic moment
• Temperature-dependent striped antiferromagnetism of LaFeAsO in a Green's function approach
• Longitudinal modes of spin fluctuations in iron-based superconductors
• Magnetic anisotropy and magnetic ordering of transition-metal phosphorus trisulfides
• Magnetic properties of iron pnictides from spin-spiral calculations