Related papers: Density functional simulation of small Fe nanopart…
The stability, electronic and magnetic properties of Fe atoms adsorbed on the self-assembled Bi-dimer lines nanostructure on the H/Si(001) surface are addressed by spin-density functional calculations. Our results show that Fe adatoms are…
We report the chemical synthesis of Fe-core/Au-shell nanoparticles by a reverse micelle method, and the investigation of their growth mechanisms and oxidation-resistant characteristics. The core-shell structure and the presence of the Fe &…
The magnetization processes in Fe nano-systems are investigated using the numerical simulations based on classical magnetic dipole moment interactions. The domain energies are calculated from moment-moment interactions over whole systems…
Most conventional magnetic materials used in the electronic devices are ferrites, which are composed of micrometer-size grains. But ferrites have small saturation magnetization, therefore the performance at GHz frequencies is rather poor.…
We demonstrate a combination of computational tools and experimental 4D-STEM methods to image the local magnetic moment in antiferromagnetic Fe$_2$As with 6 angstrom spatial resolution. Our techniques utilize magnetic diffraction peaks,…
We demonstrate an element-specific measurement of magnetization precession in a metallic ferromagnetic alloy, separating Ni and Fe moment motion in Ni81Fe19. Pump-probe X-ray magnetic circular dichroism (XMCD), synchronized with short…
Iron pnictides and selenides display a variety of unusual magnetic phases originating from the interplay between electronic, orbital, and lattice degrees of freedom. Using powder inelastic neutron scattering on the two-leg ladder BaFe2Se3,…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
Multiscale simulation is a key research tool for the quest for new permanent magnets. Starting with first principles methods, a sequence of simulation methods can be applied to calculate the maximum possible coercive field and expected…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
We examine binary mixtures of superparamagnetic colloidal particles confined to a two-dimensional water-air interface both by real-space experiments and Monte-Carlo computer simulations at high coupling strength. In the simulations, the…
Magnetization reversal of individual, isolated high-aspect-ratio Fe nanoparticles with diameters comparable to the magnetic exchange length is studied by high-sensitivity submicron Hall magnetometry. For a Fe nanoparticle with diameter of 5…
We report neutron diffraction studies of FeS single crystals obtained from Rb$_x$Fe$_{2-y}$S$_2$ single crystals via a hydrothermal method. While no $\sqrt {5}\times \sqrt {5}$ iron vacancy order or block antiferromagnetic order typical of…
Beam deflection is capable of providing valuable information about the magnetic moments of molecules and clusters as well as the relaxation dynamics of their spins. However, observations have been hampered by magnetic couplings to excited…
The low temperature relaxation of the magnetization in magnetic molecular solids such as Fe$_8$ is studied using Monte Carlo simulations. A set of rate equations is developed to understand the simulations, and the results are compared. The…
We have obtained the equilibrium volumes, bulk moduli, equations of state of the ferromagnetic cubic $\alpha$ and paramagnetic hexagonal $\epsilon$ phases of iron in close agreement with experiment using an ab initio dynamical mean-field…
The dynamics of magnetic moments in iron-chromium alloys with different levels of Cr clustering show unusual features resulting from the fact that even in a perfect body-centred cubic structure, magnetic moments experience geometric…
In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…
Nanoindentation is a powerful tool capable of providing fundamental insights of material elastic and plastic response at the nanoscale. Alloys at nanoscale are particularly interesting as the local heterogeneity and deformation mechanism…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…