The neutron instruments suite, installed at the spallation neutron source of the Materials and
Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex …

Due to the small mass and anomalously large neutron scattering cross-section of proton
(about 80 barns compared to a few barns for other nuclei), inelastic neutron scattering is …

In a systematic investigation of scandium hydrides with high hydrogen content we predict
seven phases of scandium hydrides (ScH4, ScH6, ScH7, ScH8, ScH9, ScH10, and ScH12) …

Most of the physical properties of rare-earth dihydrides MH 2 (M= Yb Sc, Eu, Y, Lu and Gd)
have not yet been discovered. The aim of this work is to investigate to the structural …

Ab initio calculation and data mining are very useful methods to predict the interrelationships
among structure properties. In this paper, the first-principles modelling based on the density …

Hydrogen in metals is a significant research area with far-reaching implications,
encompassing diverse fields such as hydrogen storage, metal-insulator transitions, and the …

Recently, Grockowiak et al. reported “hot superconductivity” in ternary or multinary
compounds based on lanthanum hydride [AD Grockowiak, Front. Electron. Mater. 2, 837651 …

We report theoretical calculations of the static ground-state structures and pressure-induced
phase transformations of three scandium hydrides: ScH, ScH2, and ScH3. For the …

Lanthanum hydride compounds LaH3 become stabilized by yttrium substitution under the
influence of moderate pressure. Novel materials with a wide range of changes in the …

The construction of the halite unit-cell from the ionic radii of the constitutive species is
proposed with the use of our hybrid model, considering flexible anion and cation radii. 312 …