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

I'm pleased to present my work entitled "Strain-Engineered Li₂AuH₆ as a Pathway toward Ambient-Pressure High-Temperature Superconductivity".
This work presents a comprehensive computational-experimental roadmap to realize high-temperature superconductivity in Li₂AuH₆ at ambient pressure, leveraging epitaxial strain and dimensional reduction to enhance electron-phonon coupling beyond what is achievable in the bulk phase.
Unlike prior theoretical studies, I provide a fully reproducible multi-scale workflow integrating DFT, anharmonic phonon renormalization (SSCHA), anisotropic Eliashberg theory, and kinetic barrier calculations (NEB), ensuring predictive reliability.
Explicit experimental protocols for synthesizing strained monolayers via MBE and controlled hydrogenation, alongside clear characterization and validation criteria. Conservative and optimistic Tc estimates (220–318 K) with transparent Allen-Dynes calculations, highlighting sensitivity to anharmonicity and Coulomb pseudopotential.
Key differentiation from prior work by Chinese researchers (e.g., Ouyang et al., Phys. Rev. B 111, L140501, 2025; Gao et al., Nat. Commun. 16, 8253, 2025):
- Focus on strain engineering: While earlier studies emphasized bulk Li₂AuH₆ or chemical substitution, I quantitatively demonstrate how biaxial tensile strain (3–6%) in monolayers can boost λ to >2.2 while preserving high 𝜔𝑙𝑜𝑔, a crucial step toward room-temperature superconductivity without external pressure.
-Anharmonicity-aware predictions: I incorporate temperature-dependent SSCHA calculations to account for hydrogen lattice dynamics—often overlooked in harmonic approximations—providing a realistic Tc range rather than an upper theoretical limit.
-Integrated synthesis-design loop: My manuscript bridges theory and experiment by proposing specific substrates (MgO, SrTiO₃) and hydrogenation routes, moving beyond purely computational predictions toward tangible material realization.
-Risk-aware validation framework: I define clear computational checkpoints and experimental acceptance/rejection criteria to guide future studies and avoid overinterpretation of partial signatures.
I believe this work represents a significant advance in the field of conventional superconductivity, offering a actionable blueprint to explore strain-stabilized hydrides as viable ambient-pressure high-Tc materials. The manuscript aligns with the scope in pioneering material design and condensed matter physics, and I'm confident it will stimulate both theoretical and experimental efforts worldwide.