The magnetic excitation spectra in BaFe${}_2$As${}_2$: a two-particle approach within DFT+DMFT

Abstract

We study the magnetic excitation spectra in the paramagnetic state of BaFe${}_2$As${}_2$ from the \textit{ab initio} perspective. The one-particle excitation spectrum is determined within the combination of the density functional theory and the dynamical mean-field theory method. The two-particle response function is extracted from the local two-particle vertex function, also computed by the dynamical mean field theory, and the polarization function. This method reproduces all the experimentally observed features in inelastic neutron scattering (INS), and relates them to both the one particle excitations and the collective modes. The magnetic excitation dispersion is well accounted for by our theoretical calculation in the paramagnetic state without any broken symmetry, hence nematic order is not needed to explain the INS experimental data.

5 pages, 5 figures

References in corpus (16)

• Competing Orders and Spin-Density-Wave Instability in La(O${}_{1-x}$F${}_x$)FeAs
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
• Magnetism and Charge Dynamics in Iron Pnictides
• Spin fluctuations and superconductivity in a 3D tight-binding model for BaFe2As2
• Nematic spin fluid in the tetragonal phase of BaFe2As2
• Itinerant magnetic excitations in antiferromagnetic CaFe2As2
• Consistent model of magnetism in ferropnictides
• Dichotomy between large local and small ordered magnetic moment in Iron-based superconductors
• Symmetry of spin excitation spectra in the tetragonal paramagnetic and superconducting phases of 122-ferropnictides
• Anisotropy, Itineracy, and Magnetic Frustration in High-Tc Iron Pnictides
• Neutron Scattering Resonance and the Fe-pnictide Superconducting Gap
• Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors
• Spin and Charge Dynamics Ruled by Antiferromagnetic Order in Iron Pnictides
• Linear-Temperature Dependence of Static Magnetic Susceptibility in LaFeAsO from Dynamical Mean-Field Theory
• Low Energy, Coherent, Stoner-like Excitations in CaFe${}_2$As${}_2$

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