Strain-Engineered Li₂AuH₆ as a Realistic Route Toward Ambient-Pressure Room-Temperature Superconductivity

The discovery of superconductivity approaching room temperature in hydrogen-rich compounds under extreme pressure has firmly established phonon-mediated pairing as a viable route to very high critical temperatures. However, the requirement of megabar pressures remains a fundamental obstacle to technological application. In this work, I present a comprehensive first-principles investigation of Li₂AuH₆, a ternary hydride stable at ambient pressure, and demonstrate that strain engineering and dimensional reduction can drive this compound to the threshold of room-temperature superconductivity at zero external pressure. Using density-functional theory (DFT), density-functional perturbation theory (DFPT), and Migdal–Eliashberg theory, I show that biaxial tensile strain in a Li₂AuH₆ monolayer enhances the electronic density of states at the Fermi level and selectively softens hydrogen-dominated phonon modes without inducing structural instabilities. The resulting electron–phonon coupling constant reaches λ ≈ 2.4–2.6 while maintaining an exceptionally high logarithmic phonon frequency 𝜔𝑙𝑜𝑔≈ 1900–2000 K. These parameters yield a predicted superconducting transition temperature Tc in the range 280–320 K within the Allen–Dynes formalism. I analyze the microscopic origin of this enhancement, quantify anharmonic effects, and outline realistic experimental pathways for synthesis and verification. My results identify Li₂AuH₆ as one of the most credible candidates currently known for achieving superconductivity near room temperature at ambient pressure within established physical theory.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-01-16
DOI
https://doi.org/10.5281/zenodo.18267117
Primary Topic
Hydrogen Storage and Materials
Type
article
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article

Strain-Engineered Li₂AuH₆ as a Realistic Route Toward Ambient-Pressure Room-Temperature Superconductivity

Giustino Travaglini
Zenodo (CERN European Organization for Nuclear Research)
Hydrogen Storage and Materials
article

Strain-Engineered Li₂AuH₆ as a Realistic Route Toward Ambient-Pressure Room-Temperature Superconductivity

Giustino Travaglini
article en

Abstract

The discovery of superconductivity approaching room temperature in hydrogen-rich compounds under extreme pressure has firmly established phonon-mediated pairing as a viable route to very high critical temperatures. However, the requirement of megabar pressures remains a fundamental obstacle to technological application. In this work, I present a comprehensive first-principles investigation of Li₂AuH₆, a ternary hydride stable at ambient pressure, and demonstrate that strain engineering and dimensional reduction can drive this compound to the threshold of room-temperature superconductivity at zero external pressure. Using density-functional theory (DFT), density-functional perturbation theory (DFPT), and Migdal–Eliashberg theory, I show that biaxial tensile strain in a Li₂AuH₆ monolayer enhances the electronic density of states at the Fermi level and selectively softens hydrogen-dominated phonon modes without inducing structural instabilities. The resulting electron–phonon coupling constant reaches λ ≈ 2.4–2.6 while maintaining an exceptionally high logarithmic phonon frequency 𝜔𝑙𝑜𝑔≈ 1900–2000 K. These parameters yield a predicted superconducting transition temperature Tc in the range 280–320 K within the Allen–Dynes formalism. I analyze the microscopic origin of this enhancement, quantify anharmonic effects, and outline realistic experimental pathways for synthesis and verification. My results identify Li₂AuH₆ as one of the most credible candidates currently known for achieving superconductivity near room temperature at ambient pressure within established physical theory.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 86%
Hydrogen Storage and Materials
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Strain-Engineered Li₂AuH₆ as a Realistic Route Toward Ambient-Pressure Room-Temperature Superconductivity — Giustino Travaglini · Zenodo (CERN European Organization for Nuclear Research) (2026) | TGRS Research Map | TGRS