$\textit{Ab initio}$ Theory of Eliminating Surface Oxides of Superconductors with Noble-Metal Encapsulation
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866911428493967360 |
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| author | Méndez, Cristóbal Sitaraman, Nathan Liepe, Matthias Arias, Tomás |
| author_facet | Méndez, Cristóbal Sitaraman, Nathan Liepe, Matthias Arias, Tomás |
| contents | Nanometer-scale surface chemistry limits the performance of SRF cavities and quantum circuits. We present an ab initio framework connecting DFT interfacial energetics with strong-coupling Eliashberg theory for capped Nb and Ta surfaces. This approach identifies Au and Au-based alloys (AuPd, AuPt) as effective passivation layers. Our model further predicts that combining a noble-metal capping layer with an appropriate wetting/adhesion layer (WAL) yields far more robust adhesion than a capping layer alone under realistic conditions, enabling thinner caps, and thereby addressing a central challenge in superconducting surface passivation. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_02914 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | $\textit{Ab initio}$ Theory of Eliminating Surface Oxides of Superconductors with Noble-Metal Encapsulation Méndez, Cristóbal Sitaraman, Nathan Liepe, Matthias Arias, Tomás Superconductivity Nanometer-scale surface chemistry limits the performance of SRF cavities and quantum circuits. We present an ab initio framework connecting DFT interfacial energetics with strong-coupling Eliashberg theory for capped Nb and Ta surfaces. This approach identifies Au and Au-based alloys (AuPd, AuPt) as effective passivation layers. Our model further predicts that combining a noble-metal capping layer with an appropriate wetting/adhesion layer (WAL) yields far more robust adhesion than a capping layer alone under realistic conditions, enabling thinner caps, and thereby addressing a central challenge in superconducting surface passivation. |
| title | $\textit{Ab initio}$ Theory of Eliminating Surface Oxides of Superconductors with Noble-Metal Encapsulation |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2509.02914 |