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First-Principles Calculation of Coherence Length and Penetration Depth Based on Density Functional Theory for Superconductors
Phys. Rev. Lett. 137, 196001 – Published 3 November, 2026
DOI: https://doi.org/10.1103/lrhl-j9bt
Abstract
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. 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 , and under high pressure, we obtain results in good agreement with available experimental data and reproduce the type-I or 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.
Physics Subject Headings (PhySH)
synopsis
Calculating Superconductors from Scratch
A new formalism yields the quantities that characterize a conventional superconductor without adjustable parameters.
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