Jacutingaite-family: a class of topological materials

preprint2020arXivOpen access

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 M2NX3M_2NX_3 (MM=Ni, Pt, Pd; NN=Zn, Cd, Hg; and XX=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.

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