Computational survey evaluates superconducting properties of metals in zeolite frameworks, suggesting optimization of performance.
We present a systematic computational survey of superconductivity in metal nanowires confined within 15 IZA zeolite framework types, screening 12 metals across 180 metal- zeolite pairs using the McMillan/Allen-Dynes formalism with confinement corrections for phonon hardening and metal-framework coupling. Channel topology — not diameter alone — determines the superconducting critical temperature: three-dimensional cage zeolites yield mean T_c = 14.2 K versus 7.7 K for one-dimensional channels, with connec- tivity (r = +0.55) a stronger predictor than channel diameter (r = -0.53). The model is validated against published data for Ga in mordenite (predicted 7.6 K versus experimen- tal 7.2 K, within 6%). We predict Bi:Ni alloy confined in the chabazite (CHA) framework achieves T_c = 7-25 K (central estimate 12.9 K) through partial Mermin-Wagner suppres- sion of ferromagnetic pair-breaking, transforming a marginal bulk superconductor into a robust confined one. The CHA framework simultaneously ranks first for Casimir vacuum energy density among zeolites (companion paper), establishing the first cross-domain structural optimization in which a single crystalline topology maximizes both quantum vacuum and superconducting properties.
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Bradley John Hart (2026) studied this question.
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