Related papers: The magnetic form factor of iron in SrFe2As2
Neutron diffraction measurements have been carried out to investigate the magnetic form factor of the parent SrFe2As2 system of the iron-based superconductors. The general feature is that the form factor is approximately isotropic in wave…
We have performed neutron diffraction measurement on a single crystal of parent compound of iron-based superconductor, BaFe$_2$As$_2$ at 12~K. In order to investigate in-plane anisotropy of magnetic form factor in the antiferromagnetic…
Neutron powder diffraction experiments were carried out on polycrystalline SrFe$_2$As$_2$ in order to determine the magnetic structure and its relationship with the crystallographic one. Below $T_0$=205 K, magnetic reflections appear…
On the textbook example of an isolated antiferromagnetic Heisenberg dimer, we demonstrate that the magnetic form factor and the magnetic electron density distribution can be extracted from the momentum-dependence of the inelastic neutron…
We introduce a formalism to compute the neutron magnetic form factor Fm(q) within a first-principles Density Functional Theory (DFT) + Dynamical Mean Field Theory (DMFT). The approach treats spin and orbital interactions on the same footing…
Magnetic 2D materials have achieved significantly consideration owing to their encouraging applications. A variation of these 2D materials by occurrence of defects, by the transition-metal doping or adsorption or by the surface…
Among various parent compounds of iron pnictide superconductors, EuFe2As2 stands out due to the presence of both spin density wave of Fe and antiferromagnetic ordering (AFM) of the localized Eu2+ moment. Single crystal neutron diffraction…
The iron arsenide Sr2CrO3FeAs with the tetragonal Sr2GaO3CuS-type structure was synthesized and its crystal structure re-determined by neutron powder diffraction. In contrast to previous X-ray crystallographic studies, a mixed occupancy of…
The electronic energy structures and magnetic properties of iron-based compounds with group VI elements (FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$) are studied using the density functional theory (DFT) methods.…
Phonon spectra of detwinned {SrFe$_2$As$_2$} crystals, as measured by inelastic x-ray scattering, show clear anisotropy accompanying the magneto-structural transition at 200 K. We model the mode splitting using magnetic DFT calculations,…
The temperature dependence of the paramagnetic susceptibility of the iron pnictide superconductor KFe2As2 and its connection with the spectral properties of that material is investigated by a combination of density functional theory (DFT)…
The development of quantitative models for radiation damage effects in iron, iron alloys and steels, particularly for the high temperature properties of the alloys, requires understanding of magnetic interactions, which control the phase…
The magnets are typically classified into Stoner and Heisenberg type, depending on the itinerant or localized nature of the constituent magnetic moments. In this work, we investigate theoretically the behaviour of the magnetic moments of…
We report results of 75As nuclear magnetic resonance (NMR) experiments on a self-flux grown high-quality single crystal of SrFe2As2. The NMR spectra clearly show sharp first-order antiferromagnetic (AF) and structural transitions occurring…
The magnetic structure of superconducting Eu(Fe0.82Co0.18)2As2 is unambiguously determined by single-crystal neutron diffraction. A long-range ferromagnetic order of the Eu2+ moments along the c-direction is revealed below the magnetic…
The electronic and magnetic structures of $ {\rm ScFe_2} $ and of its dihydride $ {\rm ScFe_2H_2} $ are self-consistently calculated within the density functional theory (DFT) using the all electron augmented spherical wave (ASW) method…
The physical properties of itinerant antiferromagnetic (AFM) SrCr$_2$As$_2$ with body-centered tetragonal ThCr$_2$Si$_2$ structure were investigated in single crystalline and polycrystalline forms by electrical resistivity $\rho$, heat…
The optical conductivity of LaFeAsO, BaFe$_2$As$_2$, SrFe$_2$As$_2$, and EuFe$_2$As$_2$ in the spin-density wave (SDW) state is investigated within density functional theory (DFT) in the framework of spin-polarized generalized gradient…
Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) in their antiferromagnetic ground state. The electronic…
The magnetism in SrFe2As2 can be suppressed by electron doping through a small substitution of Fe by Co or Ni, giving way to superconductivity. We demonstrate that a massive substitution of Fe by isovalent ruthenium similarly suppresses the…