Using first-principles calculations combined with the Löwdin partitioning method, we investigate the layer-resolved topological properties of the Ising superconductor $\mathrm{Nb}{\mathrm{Se}}_2$ proximity coupled with a two-dimensional metallic ferromagnet ${\mathrm{Fe}}_3\mathrm{Ge}{\mathrm{Te}}_2$ (FGT). We first reveal that the top $\mathrm{Nb}{\mathrm{Se}}_2$ monolayer develops a nontrivial band topology under the lateral compression caused by the FGT overlayer, while the remaining $\mathrm{Nb}{\mathrm{Se}}_2$ layers maintain their band triviality. More significantly, the top $\mathrm{Nb}{\mathrm{Se}}_2$ monolayer exhibits distinctly different band topology when the FGT magnetization is switched off or on, characterized by a topological invariant $Z_2=1$ or Chern number $C=1$, respectively. We further confirm that the Ising pairing nature in the top $\mathrm{Nb}{\mathrm{Se}}_2$ monolayer is well preserved in the heterostructure. This study not only provides an appealing candidate system for realizing topological Ising superconductivity, but also presents a generic first-principles based approach for describing topological superconductivity beyond prevailing empirical phenomenological modeling.

Close

PrevNext

View figure in article

• Electronic structure
• First-principles calculations
• Magnetism
• Topological materials
• Density functional theory