- Accepted Paper
First-principles calculation of coherence length and penetration depth based on density functional theory for superconductors
Phys. Rev. Lett. - Accepted 1 September, 2026
DOI: https://doi.org/10.1103/lrhl-j9bt
Phys. Rev. Lett. - Accepted 1 September, 2026
DOI: https://doi.org/10.1103/lrhl-j9bt
We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length and the magnetic penetration depth , within superconducting density functional theory (SCDFT). By incorporating finite-momentum Cooper pairs, we formulate a microscopic scheme that enables a consistent and parameter-free determination of , , and the superconducting transition temperature on the same theoretical footing. Applying the method to representative elemental superconductors, the A15 compound VSi, and HS under high pressure, we obtain results in good agreement with available experimental and reproduce the type-I/type-II classification across all materials studied. The unified access to and further allows us to construct the Uemura plot entirely from first principles, showing that higher- systems are characterized by the simultaneous realization of strong pairing and large phase stiffness. Our results establish a predictive first-principles route to superconducting length scales and provide a microscopic interpretation of empirical correlations in superconductivity.
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