Chun-Jie Zhang | Searcharxiv

arXiv2026

Charge-Density-Wave Phase Selection by Janus-Induced Intrinsic Strain in Monolayer NbSSiAs$_2$

Controlling phase selection among competing charge-density-wave (CDW) instabilities remains challenging in two-dimensional materials. Here, first-principles calculations show that Janus-induced intrinsic tensile strain redirects the off-M soft-mode tendency of NbS$_2$ to the M point in NbSSiAs$_2$, selecting a $2\times2$ CDW reconstruction. Electron-phonon coupling analysis identifies momentum-selective coupling between Nb-derived states and a longitudinal acoustic mode as the origin of the M-point instability. The reconstructed phase hosts two nearly degenerate Nb-trimerized configurations whose relative stability is tuned by biaxial strain. Both configurations retain phonon-mediated superconductivity on the 6-7 K scale, indicating the coexistence of CDW order and superconductivity. Compressive strain favors the 1+3-hollow configuration and induces a band-inverted, $Z_2$-nontrivial state while preserving superconductivity. Together, these results identify Janus-induced intrinsic strain as an internal structural route for CDW phase selection, whereas external strain provides access to a regime in which CDW order, topology, and superconductivity coexist.

cond-mat.mtrl-sci↗

arXiv2026

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

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.

cond-mat.supr-con↗