Related papers: A study of uranium-based multilayers: I. Fabricati…
We have elucidated the nature of the electron correlation effect in uranium compounds by imaging the partial $\mathrm{U}~5f$ density of states (pDOS) of typical itinerant, localized, and heavy fermion uranium compounds by using the…
Uranium digermanide UGe$_2$, the first ferromagnetic superconductor, represents a key composition in the U-Ge system dominated by U-5$f$ states. To examine the impact of controlled stoichiometric deviations on the electronic structure,…
Valence band electronic structure of mixed uranium oxides (UO2, U4O9, U3O7, U3O8, UO3) has been studied by the resonant inelastic X-ray scattering (RIXS) technique at the U M5 edge and by computational methods. We show here that the RIXS…
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…
The uniaxial structure of Si and Ge (001) facets leads to nontrivial topological properties of steps and hence to interesting equilibrium phase transitions. The disordered flat phase and the preroughening transition can be stabilized…
Hafnium Nitride (HfN) is a promising and very robust alternative to gold for applications of nanoscale metals. Details of the nanomorphology related to variations in strain states and optical properties can be crucial for applications in…
The diffusion, penetration and intercalation of metallic atomic dopants is an important question for various graphite applications in engineering and nanotechnology. We have performed systematic first-principles calculations of the…
We present a discussion of published x-ray magnetic circular dichroism (XMCD) measurements performed at the uranium M_4,5 edges of metallic uranium compounds, focusing on the shape of the dichroic signal at the M_5 edge. A well resolved…
The crystalline ground state of macroions confined between two neutral parallel plates in the presence of their homogeneously spread counterions is calculated by lattice-sum minimization of candidate phases involving up to six layers. For…
Using atomistic Monte Carlo simulations, we investigated the impact of the interface on the structural properties of iron and copper (Fe/Cu) magnetic multilayers grown by Vorono\"i diagram. Interest in magnetic multilayers has recently…
X-ray diffraction experiments were performed on polycrystalline and single-crystal specimens of Ce$_{2}$Fe$_{17}$ at temperatures between 10 K and 300 K. Below $T_{\mathrm{t}}$ = 118$\pm$2 K, additional weak superstructure reflections were…
Uranium mononitride, UN, is considered a potential accident tolerant fuel due to its high uranium density, high thermal conductivity, and high melting point. Compared with the relatively inert UO2, UN has a high reactivity in water,…
Despite the recent progress on two-dimensional multilayer materials (2DMM) with weak interlayer interactions, the investigation on 2DMM with strong interlayer interactions is far from its sufficiency. Here we report on first-principles…
We investigate the origin of satellite features that appear in the high-resolution x-ray absorption spectra measured at the uranium M 4 edge in compounds where the uranium atoms are in the U 6+ oxidation state. We employ a material-specific…
Honeycomb layered oxides are a novel class of nanostructured materials comprising alkali or alkaline earth metals intercalated into transition metal slabs. The intricate honeycomb architecture and layered framework endows this family of…
Magnetic structure of tetragonal UAu$_2$Si$_2$ was investigated by single-crystal neutron diffraction experiments. Below $T_{\rm N}$ = 20 K it orders antiferromagnetically with a propagation vector of $k = (2/3, 0, 0)$ and magnetic moments…
Among the large number of promising two-dimensional (2D) atomic layer crystals, true metallic layers are rare. Through combined theoretical and experimental approaches, we report on the stability and successful exfoliation of atomically…
Accurate low-order structure factors (Fg) measured by quantitative convergent beam electron diffraction (QCBED) were used for validation of different density functional theory (DFT) approximations. 23 low-order Fg were measured by QCBED for…
A systematic analysis of resonant x-ray Bragg diffraction data for UPd$_3$, with signal enhancement at the U M$_{IV}$ edge, including possible structural phase-transitions leads to a new determination of the space groups of the material in…
The graphene-graphite relationship in structural geometry is a basic principle to predict novel two-dimensional (2D) materials. Here, we demonstrate that this is not the case in binary metallic systems. We use the Bayesian optimization…