High‐Temperature Ternary Superhydrides: A Strategic Roadmap to Optimal Superconducting Parameters
Izabela A. Wrona, Paweł Niegodajew, Artur P. Durajski
Abstract
Abstract This study investigates the superconducting properties of ternary hydrogen‐rich compounds to elucidate the factors that limit their critical temperature ( T c ). Through a systematic analysis of an extensive dataset comprising theoretically predicted and experimentally verified ternary hydrides, the correlations between T c and key compositional and structural parameters are examined, specifically focusing on the mass ratio between heavier atoms and hydrogen ( M X / M H ), hydrogen fraction ( H f ), and compound electronegativity. These findings indicate that specific ranges of these parameters are more conducive to achieving elevated superconducting transition temperatures. For instance, compounds with mass ratios in the range 0 < M X / M H < 40, hydrogen fractions close to 0.8 − 0.9, and electronegativity values between 2.0 and 2.1 exhibit a higher probability of reaching T c values above 200 K, with some extending beyond 300 K. These insights provide a robust framework for identifying promising candidates among ternary hydrides for high‐temperature superconductivity at manageable pressures. This work contributes valuable predictive criteria for accelerating the discovery and optimization of new superconducting materials that may support future technological applications at ambient or near‐ambient conditions.