Related papers: Revised crystal structure model of Li2NH by neutro…
The orthorhombic compound NdFe$_2$Al$_{10}$ has been studied by powder and single-crystal neutron diffraction. Below $T_N$ = 3.9 K, the Nd$^{3+}$ magnetic moments order in a double-$k$ [$\mathbf{k}_1 = (0, \frac{3}{4}, 0)$, $\mathbf{k}_2 =…
Liquid metallic hydrogen (LMH) was recently produced under static compression and high temperatures in bench-top experiments. Here, we report a study of the optical reflectance of LMH in the pressure region of 1.4-1.7 Mbar and use the Drude…
When flat or on a firm mechanical substrate, the atomic composition and atomistic structure of two-dimensional crystals dictate their chemical, electronic, optical, and mechanical properties. These properties change when the two-dimensional…
We investigate five different models to reconstruct the 3D $\gamma$-ray hit coordinates in five large \lacls monolithic crystals optically coupled to pixelated silicon photomultipliers. These scintillators have a base surface of 50 $\times$…
Evolutionary crystal structure prediction searches have been employed to explore the ternary Li-F-H system at 300 GPa. Metastable phases were uncovered within the static lattice approximation, with LiF$_3$H$_2$, LiF$_2$H, Li$_3$F$_4$H,…
An H atom inserted into hydrogen monolayer on the Si(100)-2x1 surface has been studied using the density functional theory. Hydrogen-induced defects were considered in their neutral, negative, and positive charge states. It was found that…
We have measured the center-of-mass structure factor S(k) of liquid para-hydrogen by neutron diffraction, using the D4C diffractometer at the Institute Laue Langevin, Grenoble, France. The present determination is at variance with previous…
Large inhomogeneities in neutral hydrogen in the universe can be detected at redshifts $z \leq 10$ using the redshifted 21cm line emission from atomic hydrogen. This paper reviews the expected evolution of neutral hydrogen and presents…
The crystal structure of Nb22O54 is reported for the first time, and the structure of orthorhombic Nb12O29 is reexamined, resolving previous ambiguities. Single crystal x-ray and electron diffraction were employed. These compounds were…
The crystals of potassium hydrogen carbonate (KHCO3) and the KDCO3 analogue are isomorphous. They are composed of hydrogen or deuterium bonded centrosymmetric dimers (HCO3-)(2) or (DCO3-)(2). The space group symmetry of KHpD1-pCO3 (p…
Atomic structure of a mono-dispersive hematite ($\alpha$-Fe$_2$O$_3$) nanocube $(0 1\bar1 2)$ surface was determined with synchrotron X-ray diffraction. The $\alpha$-Fe$_2$O$_3$ nanocubes were prepared through a hydrothermal process and a…
Based on neutron wide-angle diffraction and small-angle neutron scattering experiments, we show that there is a correlation between the preparational conditions of amorphous ice structures, their microscopic structural properties, the…
The hydrogen positions and magnetic structure of goethite $\alpha$-FeOOH, a key component of iron rust, were examined through neutron diffraction. All symmetry-allowed magnetic structures under the space group $Pnma$ with the magnetic…
We consider a new C2H nanostructure based on bilayer graphene transformed under the covalent bond of hydrogen atoms adsorbed on its external surface, as well as compounds of carbon atoms located opposite each other in neighboring layers.…
Diffusion in coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants $D$ from molecular dynamics simulations. We find that $D$ for coulomb crystals with relatively soft-core $1/r$…
Nuclear matter at large number of colors is necessarily in a solid phase. In particular holographic nuclear matter takes the form of a crystal of instantons of the flavor group. In this article we initiate the analysis of the…
The structure of a new member of the AxCoO2 x nH2O family (A=Li,Na,K) was determined by high-resolution synchrotron X-ray powder diffraction. Layered lithium cobalt oxide hydrate LixCoO2 x 2H2O crystallizes in a disordered monoclinic…
This study investigates hydrogen permeation in titanium aluminium nitride (TiAlN) using ab initio density functional theory (DFT) for cubic and hexagonal crystal structures. Despite the significance of hydrogen barriers, the potential of…
We have investigated the crystal, electronic, and magnetic structure of Mn5O8 by means of state of-the-art density functional theory calculations and neutron powder diffraction (NPD) measurements. This compound stabilizes in the monoclinic…
Modeling the atomic structure of amorphous materials has long been a critical challenge in materials science. Recent advances in monolayer amorphous materials enable direct observation of their atomic structures, paving the way for a better…