Related papers: Ab initio Simulations of Fe-based Ferric Wheels
Multiple spin density waves and related vortex-type magnetic structures in the itinerant electron system with inversion symmetry have been investigated on the basis of the Hubbard model and the generalized Hartree-Fock approximation…
We present the results of x-ray scattering and muon-spin relaxation ($\mu^{+}$SR) measurements on the iron-pnictide compound FeCrAs. Polarized non-resonant magnetic x-ray scattering results reveal the 120$^\circ$ periodicity expected from…
Variant approaches, either based on the Fermi surface nesting or started from the proximity to a Mott-insulator, were proposed to elucidate the physics in iron pnictides, but no consensus has been reached. A fundamental problem concerns the…
Recent inelastic neutron scattering (INS) measurements on FeSe and Fe(Te$_{1-x}$Se$_x$), have sparked intense debate over the nature of the ground state in these materials. Here we propose an effective bilinear-biquadratic spin model which…
Using Density functional theory and non-equilibrium Green's function formalism, spin dependent electron transport in Fe/Mo$_x$Cr$_{1-x}$S$_2$/Fe magnetic tunnel junction is studied. Spin transport for different thicknesses (1, 3, 5, and 7…
Elucidating the nature of the magnetic ground state of iron-based superconductors is of paramount importance in unveiling the mechanism behind their high temperature superconductivity. Until recently, it was thought that superconductivity…
Atomic, electronic, and magnetic structure of LaSrCo$_{1/2}$Fe$_{1/2}$O$_4$ mixed-metal Ruddlesden-Popper oxide is investigated theoretically using self-consistent ACBN0 DFT + $U$ approach. We show that the electronic and magnetic…
With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe$_{1.23}$Te$_3$, which is a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is…
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…
Electronic transport and magnetic properties of bulk and rapid melt quenched samples of the Mn$_3$Al Heusler alloy were studied. A correlation between the magnetic and structural states was established. For a cast sample, there is no…
The local electronic structure of Nd2CuO4 is determined from ab-initio cluster calculations in the framework of density functional theory. Spin-polarized calculations with different multiplicities enable a detailed study of the charge and…
In the metallic magnet NbFe2, the low temperature threshold of ferromagnetism can be investigated by varying the Fe concentration within a narrow homogeneity range. NbFe2 is one of a number of compounds where modulated order is found to…
We provide evidence that spin ferroquadrupolar (FQ) order is the likely ground state in the nonmagnetic nematic phase of stoichiometric FeSe. By studying the variational mean-field phase diagram of a bilinear-biquadratic Heisenberg model up…
We present a combined theoretical and experimental study of the energetic stability and accessibility of different domain wall spin configurations in mesoscopic magnetic iron rings. The evolution is investigated as a function of the width…
We study the electronic states of the magnetically ordered Mn3Pt alloy within the density functional theory. Mn3Pt has been believed that one third of Mn atoms have no magnetic moment in an antiferromagnetic phase (so-called the F-phase)…
We investigate the magnetism in tilted fermionic Mott insulators. With a small tilt, the fermions are still localized and form a Mott-insulating state, where the localized spins interact via antiferromagnetic exchange coupling. While the…
Using first-principles calculations, we demonstrate that the magnetic exchange interaction and the magnetocrystalline anisotropy of biatomic Fe chains grown in the trenches of the 5x1 reconstructed Ir(001) surface depend sensitively on the…
The structural and magnetic properties of ZnFe2O4 nanoparticles embedded in a non-magnetic ZnO matrix are presented. X-ray diffractograms and Transmission Electron Microscopy (TEM) images showed that the resulting samples are composed of…
In this review, we outline the important results on the resistivity encountered by an electron in magnetically ordered materials. The mechanism of the collision between the electron and the lattice spins is shown. Experiments on the spin…
We present a detailed study of the ground-state magnetic structure of ultrathin Fe films on the surface of fcc Ir(001). We use the spin-cluster expansion technique in combination with the relativistic disordered local moment scheme to…