title: Towards superconductivity in hydrides: computational studies of two hypothetical ternary compounds, Yb(II)BeH4 and Cs3Yb(III)H6.
abstract: Two examples of novel, as yet unsynthesized ternary lanthanide hydrides--Yb(II)BeH4 and Cs3Yb(III)H6--are investigated computationally. Their unprecedented electronic structure is discussed and the potential superconductivity of Cs3Yb(III)H6 explored. Methods of synthesis are postulated for both compounds.
authors.affiliation: Department of Chemistry, Warsaw University, Pasteur 1, 02093, Warsaw, Poland.
authors.forename: Tomasz
authors.initials: T
authors.lastname: Jaroń
authors.forename: Wojciech
authors.initials: W
authors.lastname: Grochala
authors.forename: Roald
authors.initials: R
authors.lastname: Hoffmann
mesh_terms: D001608:Beryllium / Q000737:chemistry*; D002586:Cesium / Q000737:chemistry*; D004553:Electric Conductivity; D005459:Fluorides / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry*; D015394:Molecular Structure; D013816:Thermodynamics; D015018:Ytterbium / Q000737:chemistry*
chemical_list: D002586:Cesium; D006859:Hydrogen; D015018:Ytterbium; D001608:Beryllium; D005459:Fluorides