The multi-hydrogen lanthanum hydride LaH10 is well recognized as having the highest
critical temperature (T c) of 250–260 K under unrealistically ultrahigh pressures of about 170 …

The realization of multi-Weyl systems with the minimum nonzero number of Weyl points and
the maximum charge number remains challenging in topology physics. In this work, based …

First-principles calculations coupled with evolutionary algorithms have been employed to
predict the structures of hydrides of the alkali metals and alkaline earth metals under …

The computational and experimental exploration of the phase diagrams of binary hydrides
under high pressure has uncovered phases with novel stoichiometries and structures, some …

Evolutionary structure searches are coupled with density functional theory calculations to
predict the most stable stoichiometries and structures of beryllium and barium polyhydrides …

A systematic investigation of the alkaline earth hydrides Be H 2, Mg H 2, Ca H 2, Sr H 2, Ba
H 2, the corresponding deuterides, and their antecedent metals is reported. We calculate …

Hydrogen-rich materials have fascinating physical and chemical properties such as various
structures and superconductivity under high-pressure. In this study, structural, electronic …

Pressure-induced metallization and potential superconductivity of BeH 2 has been a topic of
interest. In the present study, we extensively explored the crystal structures of BeH 2 in a …

Numerous experiments have been performed in the past few years on solid hydride
deposition under beryllium-seeded plasma action or on energetic hydrogen implantation …

Herein we show a density functional theory‐based study performed on two recently
predicted polymorphs of the BeH2 monolayer, α‐BeH2 and β‐BeH2. The α‐BeH2 phase …