Jacutingaite-family: a class of 2D topological materials

Jacutingate, a recently discovered Brazilian naturally occurring mineral, has shown to be the first experimental realization of the Kane-Mele topological model. Such a system (Pt₂HgSe₃) presents a similar structure with the transition metal dichalcogenides (TMD) 1T phase, where 1/4 of the Se atoms are replaced by Hg. In this work, based on the stability of other TMDs, we have unveiled a class of materials M₂NX₃ (M =Ni, Pt, Pd; N =Zn, Cd, Hg; and X=S, Se, Te), sharing jacutingaite’s
key features, i.e., high stability, and large gap topological phase. By employing first-principles calculations we undoubtely 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 topological gap and with lower exfoliation barrier while retaining its stability.