Jacutingaite-family: A class of topological materials

Abstract

Jacutingate, a recently discovered Brazilian naturally occurring mineral, has been shown to be an experimental realization of the Kane-Mele topological model. In this paper we present a class of materials, ${M}_{2}N{X}_{3}$ ($M=\mathrm{Ni}$, Pt, and Pd; $N=\mathrm{Zn}$, Cd, and Hg; and $X=\mathrm{S}$, Se, and Te), sharing jacutingaite's key features, i.e., high stability and a 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 present Pt-based materials surpassing jacutingaite's impressive topological gap and lower exfoliation barrier while retaining its stability.