Anisotropy, Itineracy, and Magnetic Frustration in High-Tc Iron Pnictides

Abstract

Using first-principle density functional theory calculations combined with insight from a tight-binding representation, dynamical mean field theory, and linear response theory, we have extensively investigated the electronic structures and magnetic interactions of nine ferropnictides representing three different structural classes. The calculated magnetic interactions are found to be short-range, and the nearest ($J_{1a}$) and next-nearest ($J_2$) exchange constants follow the universal trend of J_{1a}/2J_{2}\sim 1, despite their itinerant origin and extreme sensitivity to the z-position of As. These results bear on the discussion of itineracy versus magnetic frustration as the key factor in stabilizing the superconducting ground state. The calculated spin wave dispersions show strong magnetic anisotropy in the Fe plane, in contrast to cuprates.

Fig.4 updated: Phys. Rev. Lett (in press)

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Cited by in corpus (31)

• Magnetism in Fe-based superconductors
• Unified Picture for Magnetic Correlations in Iron-Based Superconductors
• Unconventional electronic reconstruction in undoped (Ba,Sr)Fe${}_2$As${}_2$ across the spin density wave transition
• Spin waves in the $(\pi ,0)$ magnetically ordered iron chalcogenide Fe${}_{1.05}$Te
• Frustrated two dimensional quantum magnets
• Doping Driven ($\pi ,0$) Nesting and Magnetic Properties of Fe${}_{1+x}$Te Superconductors
• ARPES studies of the electronic structure of LaOFe(P,As)
• Presure-Induced Superconducting State of Antiferromagnetic CaFe${}_2$As${}_2$
• Microscopic origin of pressure-induced phase transitions in iron-pnictide $AF{e}_{2}A{s}_2$ superconductors: an {ab initio} molecular-dynamics study
• Phonon, Two-Magnon and Electronic Raman Scattering of Fe1+yTe1-xSex
• Itinerant Nature of Magnetism in Iron Pnictides: A first principles study
• Theory of two magnon Raman scattering in antiferromagnetic iron pnictides
• Analysis of spin density wave conductivity spectra of iron pnictides in the framework of density functional theory
• Local structural variation as source of magnetic moment reduction in BaFe2As2
• Crystal Symmetry and Magnetic Order in Iron Pnictides: a Tight Binding Wannier Function Analysis
• Itinerant G-type antiferromagnetic order in SrCr${}_2$As${}_2$
• Magnetism and superconductivity in the layered hexagonal transition metal pnictides
• Neutron Scattering Measurements of Spatially Anisotropic Magnetic Exchange Interactions in Semiconducting K0.85Fe1.54Se2 (TN=280 K)
• Magnetism of the Fe${}^{2+}$ and Ce${}^{3+}$ sublattices in Ce${}_2$O${}_2$FeSe${}_2$: a combined neutron powder diffraction, inelastic neutron scattering and density functional study
• Magnetism in La2O3(Fe1-xMnx)2Se2 tuned by Fe/Mn ratio
• Magnetic correlations and pairing in the 1/5-depleted square lattice Hubbard model
• Competing magnetic interactions in spin-1/2 square lattice: hidden order in Sr${}_2$VO${}_4$
• Reciprocal space study of Heisenberg exchange interactions in ferromagnetic metals
• Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs
• Revealing the degree of magnetic frustration by non-magnetic impurities
• High-Energy Damping by Particle-Hole Excitations in the Spin-Wave Spectrum of Iron-Based Superconductors
• Theoretical investigation of the electronic and magnetic properties of the orthorhombic phase of Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• 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 As K-edge EXAFS studies of LaFe1-xCoxAsO (x = 0.0 and 0.11) single crystals
• Calculations of Spin Fluctuation Spectral Functions ${\alpha }^{2}F$ in High-Temperature Superconducting Cuprates