Towards superconductivity in hydrides: computational studies of two hypothetical ternary compounds, (YbBeH4)-Be-II and (Cs3YbH6)-H-III
Two examples of novel, as yet unsynthesized ternary lanthanide hydrides - (YbBeH4)-Be-II and (Cs3YbH6)-H-III are investigated computationally. Their unprecedented electronic structure is discussed and the potential superconductivity of (Cs3YbH6)-H-III explored. Methods of synthesis are postulated for both compounds.
superconductivity hydrides lanthanides dft