Novel Insulating Magnetism in Vacancy-Ordered K2Fe4Se5

Abstract

We unveil the novel physical origin of the insulating block checkerboard antiferromagnetism in vacancy-ordered K2Fe4Se5. Our first-principles electronic structure analysis reveals its incompatibility with a simple Fermi-surface nesting or Mott insulator scenario, and suggests the picture of coexisting itinerant and localized electronic states. Consistently, we demonstrate that it can be unified with the metallic collinear or bicollinear antiferromagnetism of the vacancy-free parent compounds LaOFeAs, BaFe2As2, or FeTe in the spin-fermion model. These results indicate that the blocking effects of Hund's rule coupling and the resulting electron correlation are crucial to the electronic and magnetic structures of iron-based superconductors.

5 pages, 4 figures. WIEN2k versions 11.1 and 9.1 were used to correct quantitative errors in Figure 2 created by the bugs in WIEN2k version 10.1

References in corpus (24)

• Magnetic Order versus superconductivity in the Iron-based layered La(O1-xFx)FeAs systems
• Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family
• Near-degeneracy of several pairing channels in multiorbital models for the Fe-pnictides
• Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
• Strong Correlations and Magnetic Frustration in the High Tc Iron Pnictides
• Incommensurate magnetic order in the alpha-Fe(Te,Se) superconductor systems
• Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition
• Fe-based high temperature superconductivity with Tc=31K bordering an insulating antiferromagnet in (Tl,K)FexSe2 Crystals
• Unfolding first-principles band structures
• Bi-collinear antiferromagnetic order in the tetragonal $\alpha$-FeTe
• Magnetism and Charge Dynamics in Iron Pnictides
• Hund's coupling key role in multi-orbital correlations
• Unified Picture for Magnetic Correlations in Iron-Based Superconductors
• Intrinsic phase separation in superconducting K0.8Fe1.6Se2 (Tc= 31.8 K) single crystals
• Theory of itinerant magnetic excitations in the SDW phase of iron-based superconductors
• Spin waves in the $(\pi ,0)$ magnetically ordered iron chalcogenide Fe${}_{1.05}$Te
• Ternary iron selenide K${}_{0.8}$Fe${}_{1.6}$Se${}_2$ is an antiferromagnetic semiconductor
• Spin Waves and magnetic exchange interactions in insulating Rb${}_{0.89}$Fe${}_{1.58}$Se${}_2$
• Unconventional temperature enhanced magnetism in iron telluride
• Mott transition in Modulated Lattices and Parent Insulator of (K,Tl)yFexSe2 Superconductors
• One-Fe versus Two-Fe Brillouin Zone of Fe-Based Superconductors: Creation of the Electron Pockets via Translational Symmetry Breaking
• Synthesis, crystal and magnetic structure of iron selenide BaFe2Se3 with possible superconductivity at Tc=11K
• Vacancy Driven Orbital and Magnetic Order in (K,Tl,Cs)${}_y$Fe${}_{2-x}$Se${}_2$
• Study of the magnetic state of K${}_{0.8}$Fe${}_{1.6}$Se${}_2$ using the five-orbital Hubbard model in the Hartree-Fock approximation

Cited by in corpus (16)

• Structure, magnetic order and excitations in the 245 family of Fe-based superconductors
• Block magnetic excitations in the orbitally selective Mott insulator BaFe2Se3
• Orbital differentiation and the role of orbital ordering in the magnetic state of Fe superconductors
• Structure and composition of the superconducting phase in alkali iron selenide K${}_y$Fe${}_{1.6+x}$Se${}_2$
• The magnetic moment enigma in Fe-based high temperature superconductors
• Structure and physical properties of new layered iron oxychalcogenide BaFe2OSe2
• The magnetic and electronic properties of Oxyselenides - influence of transition metal ions and lanthanides
• Charge-Stripe Order in a Parent Compound of Iron-based Superconductors
• Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe${}_{1-x}$Se${}_x$
• Neutron Scattering Study on Spin Dynamics in Superconducting (Tl,Rb)2Fe4Se5
• Quantum magnetism of iron-based ladders: Blocks, spirals, and spin flux
• Physics picture from neutron scattering study on Fe-based superconductors
• Weak and strong electronic correlations in Fe superconductors
• Orbital Resonance Mode in Superconducting Iron Pnictides
• The influence of the structural transition on magnetic fluctuations in NaFeAs
• Paramagnetic spin excitations in insulating Rb${}_{0.8}$Fe${}_{1.6}$Se${}_2$