A Theoretical Proposal for a Bimetallic Hydrogen Clathrate (Hf,Ta)H10 as a Candidate Ambient-Pressure High-Temperature Superconductor

Abstract

Giustino Travaglini

I propose a hypothetical hydrogen-rich bimetallic compound, c-(Hf0.5Ta0.5)H10, featuring a cubic clathrate crystal structure with space group Fm-3Ì?m, isostructural to the well-known high-pressure superconductor LaH10. By combining heavy transition metals (hafnium and tantalum) with a dense hydrogen sublattice, this material is designed to generate strong internal chemical pressure, potentially stabilizing a highly compressed hydrogen network at or near ambient pressure. Using established theoretical frameworks for phonon-mediated superconductivity, including the McMillan– Allen–Dynes formula and isotropic Eliashberg theory, I estimate a superconducting critical temperature approaching the room-temperature regime, contingent on metastable structural retention.

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