Jacutingaite-family: a class of topological materials

TL;DR

This paper introduces a new class of topological materials, $M_2NX_3$, which share key features with jacutingaite, including stability and topological phases, with some materials exhibiting larger topological gaps and easier exfoliation.

Contribution

It identifies and characterizes a new class of topological materials with potential for practical applications, expanding the known family beyond jacutingaite.

Findings

Pt-based materials have larger topological gaps than jacutingaite.

The new materials exhibit high stability and topological phases.

Some materials have lower exfoliation barriers, aiding practical use.

Abstract

Jacutingate, a recently discovered Brazilian naturally occurring mineral, has shown to be the first experimental realization of the Kane-Mele topological model. In this letter we have unveiled a class of materials $M_2NX_3$ ($M$=Ni, Pt, Pd; $N$=Zn, Cd, Hg; and $X$=S, Se, Te), sharing jacutingaite's key features, i.e., high stability, and topological phase. By employing first-principles calculations we extensively characterize the energetic stability of this class while showing a common occurrence of the Kane-Mele topological phase. Here we found Pt-based materials surpassing jacutingaite's impressive topological gap and lower exfoliation barrier while retaining its stability.