Predictive design of two-dimensional electrides with tunable magnetic, topological, and superconducting properties

TL;DR

This paper explores the design of 2D electrides with tunable magnetic, topological, and superconducting properties, focusing on enhancing superconductivity through surface engineering and material substitution.

Contribution

It introduces a method to induce high-temperature multigap and topological superconductivity in 2D electrides via surface passivation and element substitution.

Findings

Multigap superconductivity up to 36K in passivated MoN2 surfaces

Potential for topological superconductivity with strong spin-orbit coupling

Surface engineering can tune magnetic and topological properties

Abstract

Two-dimensional materials are of interest for their exotic properties, for example, superconductivity, and highly tunability. Focusing on phonon-mediating superconductivity, one would propose to promote critical temperature by substituting heavy elements by lighter ones, in order to increase Debye temperature. Following recent experimental progress in transition-metal nitrides and theoretically revealing W$_2$N$_3$ as a candidate for high-temperature superconductivity, we investigate the possibility of two-dimensional superconductivity through surface engineering on MoN$_2$. Using density functional theory calculation, we found multigap superconductivity at temperature up to 36K within anisotropic Eliashberg equation in passivated electride-like surfaces. We also demonstrate their possibility to sustain topological superconductivity with strong spin-orbital coupling.