Semiconductor device technology has greatly developed in complexity since discovering the
bipolar transistor. In this work, we developed a computational pipeline to discover stable …

The X2MH6 family, consisting of an electropositive cation Xn+ and a main group metal M
octahedrally coordinated by hydrogen, have been identified as promising templates for high …

This work presents an ab-initio study on the structural, elastic, electronic, and optical
properties of the hydride compounds A 2 OsH 6 (A= Ca, Ba, Mg, and Sr) using FP-LAPW …

We report a systematic study of the structural, electronic, optical and elastic properties of the
ternary ruthenium-based hydrides A 2RuH6 (A= Mg, Ca, Sr and Ba) within two …

We report a systematic first-principles density functional theory study on the pressure
dependence of the structural parameters, elastic constants and related properties and …

The hydrogenous Zintl-phase Cs10H [Ga3H8] 3 containing propane-like polyanions [Ga3H
(D) 8] 3–was successfully synthesized by direct hydrogenation of a 1: 1 Cs/Ga metal mixture …

The wavenumbers of the ν3 metal–hydrogen stretching mode (T1u) in the IR spectra of both
ternary and quaternary hexahydrido salts of transition metals from groups 7 to 10 ([MnIH6] 5 …

The quaternary iridium based hydrides NaAeIrH 6 (Ae= Ca, Ba and Sr) are promising
candidates as hydrogen storage materials. We have studied the structural, elastic …

Different theoretical methods were used to classified, select and study the hydrides. In this
paper an attempt has been made to classified and studies the comples transition metal …

Une etude des propriétés physiques des composés semi-conducteurs ternaires hydrures à
base d'éléments alcalins et de platine, quaternaires hydrures contenant l'iridium et les …