Ab initio theory of eliminating surface oxides of superconductors with noble-metal encapsulation
Cristóbal Méndez, Nathan Sitaraman, Matthias Liepe, Tomás A. Arias
DOI 10.1103/l5jh-sldp · Physical Review Applied
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Abstract
Nanometer-scale surface chemistry limits the performance of superconducting radio-frequency cavities and quantum circuits. We present an ab initio framework connecting density-functional theory 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 yields far more robust adhesion than a capping layer alone under realistic conditions, enabling thinner caps and thus addressing a central challenge in superconducting surface passivation.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Nb Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| Ta Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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