Enhanced superconductivity in atomically thin noble metals: From quantum confinement to interface-induced Lifshitz transition

Abstract

Unlocking superconductivity in intrinsically non-superconducting noble metals (Au, Ag, Cu) represents a fundamental challenge in low-dimensional physics. While quantum confinement in the atomically thin limit is known to trigger emergent superconductivity, strategies to amplify this marginal effect to experimentally accessible temperatures remain a key open question. Using first-principles calculations, we establish a unified framework linking intrinsic confinement effects with interface engineering in noble metal films. We reveal that intrinsic superconductivity is element-specific: it is suppressed in Ag by a stiff phonon spectrum, but emerges in trilayer Cu ($T_{\rm C} \approx 0.78$ K) and pentalayer Au ($0.63$ K) driven by confinement-induced density-of-states (DOS) enhancement and phonon softening, respectively. In h-BN/Cu(111) heterostructures, $T_{\rm C}$ is critically dictated by the interfacial stacking configuration. We identify the thermodynamically stable N-bonded interface as a reliable platform for accessible superconductivity ($T_{\rm C} \approx 3.23$ K), whereas manipulating the system into a metastable B-bonded configuration boosts $T_{\rm C}$ to $7.00$ K. This enhancement originates from a B-bonded-induced Lifshitz transition, where the Fermi surface forms a tangential contact with the Brillouin zone boundary at the M point, enhancing electron-phonon coupling beyond DOS effects. Our work unifies the understanding of intrinsic two-dimensional superconductivity with atomistic interface design, offering a blueprint for functionalizing noble metals as emergent superconductors.