First-principles calculation of coherence length and penetration depth based on density functional theory for superconductors
Fuente:
arXiv
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866917316084629504 |
|---|---|
| author | Kawamura, Mitsuaki Nomoto, Takuya Witt, Niklas Arita, Ryotaro |
| author_facet | Kawamura, Mitsuaki Nomoto, Takuya Witt, Niklas Arita, Ryotaro |
| contents | We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length $ξ_0$ and the magnetic penetration depth $λ_\mathrm{L}$, 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 $ξ_0$, $λ_\mathrm{L}$, and the superconducting transition temperature $T_\mathrm{c}$ on the same theoretical footing. Applying the method to representative elemental superconductors, the A15 compound V$_3$Si, and H$_3$S under high pressure, we obtain results in good agreement with available experimental data. Furthermore, the unified access to $ξ_0$ and $λ_\mathrm{L}$ allows us to construct the Uemura plot entirely from first principles, demonstrating that conventional elemental superconductors systematically exhibit small $T_\mathrm{c}$/$T_\mathrm{F}$, while higher-$T_\mathrm{c}$ 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_05123 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | First-principles calculation of coherence length and penetration depth based on density functional theory for superconductors Kawamura, Mitsuaki Nomoto, Takuya Witt, Niklas Arita, Ryotaro Superconductivity We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length $ξ_0$ and the magnetic penetration depth $λ_\mathrm{L}$, 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 $ξ_0$, $λ_\mathrm{L}$, and the superconducting transition temperature $T_\mathrm{c}$ on the same theoretical footing. Applying the method to representative elemental superconductors, the A15 compound V$_3$Si, and H$_3$S under high pressure, we obtain results in good agreement with available experimental data. Furthermore, the unified access to $ξ_0$ and $λ_\mathrm{L}$ allows us to construct the Uemura plot entirely from first principles, demonstrating that conventional elemental superconductors systematically exhibit small $T_\mathrm{c}$/$T_\mathrm{F}$, while higher-$T_\mathrm{c}$ 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. |
| title | First-principles calculation of coherence length and penetration depth based on density functional theory for superconductors |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2603.05123 |