Electron-phonon coupling, critical temperatures and gaps in / Ising Superconductors
arXiv:2401.02310 · doi:10.1103/PhysRevB.110.014507
Abstract
Utilizing Migdal-Eliashberg theory of superconductivity within the first-principles calculations, we work out the role of electron-phonon coupling (EPC) and anisotropic superconducting properties of a recently discovered [Appl. Phys. Lett. 120, 183101 (2022)] 2D van der Waals heterostructure comprising a single layer of MoS and few layers of NbSe. We find strong EPC and a softening of phonon modes in the lowest acoustic branch. While the single MoS layer does not actively contribute to the EPC, it significantly elevates the superconducting critical temperature () compared to monolayer NbSe. This is attributed to the degradation of the charge-density wave (CDW) by the MoS layer. Notably, we observe a two-gap superconductivity in / and extend our study to three layers of NbSe. A reduction in with increasing thickness of NbSe is observed. We confirm that this trend is consistent with recent experiments, if one goes beyond three layers of NbSe. We incorporated spin-orbit coupling (SOC) and suggest a possible mechanism for Ising superconductivity. We find that SOC reduces EPC while is suppressed concomitantly by about 5K, leading to a closer estimate of the experimental .
arXiv comment6 figures, Supplementary file attached
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