Striped antiferromagnetism and electronic structures of SrFeAsF and their implications

Abstract

We investigate structural, magnetic, and electronic properties of SrFeAsF as a new parent for superconductors using state-of-the-art density-functional theory method. Calculated results show that striped antiferromagnetic order is the magnetic ground state in the Fe layer and interlayer magnetic interaction is tiny. Calculated As and Sr positions are in agreement with experiment. There are only two uniaxially-dispersed bands near the Fermi level. The valent charge is mainly in the Fe and F layers, and the magnetic moment is confined to the Fe atoms. Inter-Fe-spin couplings is due to superexchange through As atoms. These are useful to understanding the SrFeAsF and should have helpful implications to doped samples.

5 pages with figures included

References in corpus (24)

• Magnetic Order versus superconductivity in the Iron-based layered La(O1-xFx)FeAs systems
• Superconductivity at 43 K in Samarium-arsenide Oxides $SmFeAs{O}_{1-x}{F}_x$
• LaFeAsO${}_{1-x}$F${}_x$: A low carrier density superconductor near itinerant magnetism
• Superconductivity at 27 K in tetragonal FeSe under high pressure
• Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition
• Correlated electronic structure of LaOFeAs
• The challenge of unravelling magnetic properties in LaFeAsO
• Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaOFeAs
• Commensurate Spin Density Wave in LaOFeAs: A Local Probe Study
• Nodal Spin Density Wave and band topology of the FeAs based materials
• Proximity of antiferromagnetism and superconductivity in LaO${}_{1-x}$F${}_x$FeAs: effective Hamiltonian from ab initio studies
• Electron Correlations in the Low Carrier Density LaFeAsO0.89F0.11 Superconductor (Tc = 28 K)
• Antiferromagnetic transition in EuFe${}_2$As${}_2$: A possible parent compound for superconductors
• Structural transition and anisotropic properties of single crystalline SrFe2As2
• A possible ground state and its electronic structure of a mother material (LaOFeAs) of new superconductors
• Theory of the Magnetic Moment in Iron Pnictides
• Synthesis, crystal structure and spin-density-wave anomaly of the iron arsenide-fluoride SrFeAsF
• SrFeAsF as a parent compound for iron pnictide superconductors
• Electromagnetic properties and electronic structure of iron-based layered superconductor LaOFeP
• Cobalt-substitution-induced Superconductivity in a New Compound with ZrCuSiAs-type Structure, SrFeAsF
• Superconductivity in Fluorine-Arsenide Sr_{1-x}La_xFeAsF
• Two-dimensional magnetism in the pnictide superconductor parent material SrFeAsF probed by muon-spin relaxation
• Electronic Structure of New AFFeAs Prototype of Iron Arsenide Superconductors
• Mechanism of phase transitions and the electronic density of states in (La,Sm)FeAsO${}_{1-x}$F${}_x$ from ab initio calculations

Cited by in corpus (1)

• Spin-phonon coupling and pressure effect in the superconductor LiFeAs : Lattice dynamics from first-principles calculations