相关论文: Magnetization distribution and orbital moment in t…

The occurence of spin-polarization at ZrO$_{2}$, Al$_{2}$O$_{3}$ and MgO surfaces is proved by means of \textit{ab-initio} calculations within the density functional theory. Large spin moments, as high as 1.56 $\mu_B$, develop at O-ended…

Since the discovery of the metallic antiferromagnetic (AF) ground state near superconductivity in iron-pnictide superconductors, a central question has been whether magnetism in these materials arises from weakly correlated electrons, as in…

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…

Superconductivity in the iron pnictides emerges from metallic parent compounds exhibiting intertwined stripe-type magnetic order and nematic order, with itinerant electrons suggested to be essential for both. Here we use X-ray and neutron…

The compound PrFe$_2$Al$_8$ possesses a three-dimensional network structure resulting from the packing of Al polyhedra centered at the transition metal element Fe and the rare earth Pr. Along the $c$-axis, Fe and Pr form {\em chains} which…

We study the electronic and magnetic properties of monolayer Fe$_3$GeTe$_2$ within the DFT+DMFT approach in the paramagnetic phase. We argue that this compound is sufficiently far from the local magnetic moment limit, demonstrating…

The nature of the magnetic correlations in Fe-based superconductors remains a matter of controversy. To address this issue, we use inelastic neutron scattering to characterize the strength and temperature dependence of low-energy spin…

In this review, we present a summary of the results on single crystal growth of two types of iron-chalcogenide superconductors, Fe(1+y)Te(1-x)Se(x) (11), and A(x)Fe(2-y)Se(2) (A= K, Rb, Cs, Tl, Tl/K, Tl/Rb), using Bridgman, zone-melting,…

The magnetic excitations in the paramagnetic-tetragonal phase of underdoped Ba(Fe0.953Co0.047)2As2, as measured by inelastic neutron scattering, can be well described by a phenomenological model with purely diffusive spin dynamics. At low…

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 compound FeMnP$_{0.50}$Si$_{0.50}$ has been studied by magnetic measurements, M\"ossbauer spectroscopy and electronic structure and total energy calculations. An unexpected high magnetic hyperfine field for Fe atoms located at the…

A novel method invented to measure the minute thermodynamic spin magnetization of dilute two dimensional fermions is applied to electrons in a silicon inversion layer. Interplay between the ferromagnetic interaction and disorder enhances…

We report Fe K beta x-ray emission spectroscopy study of local magnetic moments in various iron based superconductors in their paramagnetic phases. Local magnetic moments are found in all samples studied: PrFeAsO, Ba(Fe,Co)2As2, LiFeAs,…

The magnon dispersion in the charge, orbital and spin ordered phase in La(0.5)Sr(1.5)MnO(4) has been studied by means of inelastic neutron scattering. We find an excellent agreement with a magnetic interaction model basing on the CE-type…

The organometallic ring molecules Fe_6 and Fe_10 are leading examples of a class of nanoscopic molecular magnets, which have been of intense recent interest both for their intrinsic magnetic properties and as candidates for the observation…

The crystal and magnetic structure of the magnetocaloric compound FeMnP0.5Si0.5 have been studied by means of neutron and X-ray powder diffraction. Single phase samples of nominal composition FeMnP0.5Si0.5 have been prepared by the drop…

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…

We use density functional theory based first-principles methods to study the magnetism in a 2D hexagonal BN sheet induced by the different concentrations of oxygen and silicon atoms substituting for nitrogen (O$_\mathrm{N}$) and boron…

The magnetic order of the localized Eu$^{2+}$ spins in optimally-doped Eu(Fe$_{1-x}$Ir$_{x}$)$_{2}$As$_{2}$ ($\mathit{x}$ = 0.12) with superconducting transition temperature $\mathit{T_{SC}}$ = 22 K was investigated by single-crystal…

The density functional non-interacting susceptibility has been analyzed in different phases of CaFe2As2 and compared with similar data for pure d-metals. The conditions for the "no local moment" itinerant state with large frustrations are…