Journal of Theoretical, Experimental, and Applied Physics
Strain-Engineered Li2AuH6 as a Pathway Toward Ambient-Pressure High Temperature Superconductivity
Abstract
Giustino Travaglini
I analyze Li2AuH6 as a candidate platform for achieving superconductivity near room temperature at zero external pressure. Li2AuH6 combines a hydrogen-rich sublattice (high phonon frequencies) and chemical pre-compression (AuH6 octahedra) with the capacity for electronic tuning via strain and dimensional reduction. Using first-principles density functional theory (DFT), density-functional perturbation theory (DFPT), electron phonon interpolation (EPW), and an anharmonic treatment (SSCHA or similar), I outline a computational and experimental roadmap for validating the material’s superconducting properties. I present explicit, reproducible computational parameters, propose synthesis protocols (bulk hydrogenation and epitaxial thin-film growth to impose biaxial tensile strain), and perform transparent Allen–Dynes sensitivity calculations for a range of realistic and optimistic parameters. Under conservative realistic assumptions (λ ≈ 1.9–2.1, ωlog ≈ 1500–1700 K, μ* = 0.10–0.13) I find Tc estimates in the ≈220–270 K window; under aggressive but stated optimistic assumptions (λ ≈ 2.4–2.6, ωlog ≈ 1900–2000 K, μ*≈ 0.10) Allen–Dynes yields Tc ≈ 300 K. I identify the decisive calculations (fully converged EPW α2F(ω), SSCHA anharmonic renormalization, anisotropic Eliashberg) and key experiments (epitaxial film growth, transport, SQUID, neutron diffraction, isotope substitution) required to validate or falsify the claim.
