Saddle-point Van Hove singularity and dual topological state in Pt 2 HgSe 3
Saddle-point Van Hove singularities in the topological surface states are interesting because they can provide a new pathway for accessing exotic correlated phenomena in topological materials. Here, based on first-principles calculations combined with a k · p model Hamiltonian analysis, we show that the layered platinum mineral jacutingaite (Pt 2 HgSe 3 ) harbors saddlelike topological surface states with associated Van Hove singularities. Pt 2 HgSe 3 is shown to host two distinct types of nodal lines without spin-orbit coupling (SOC), which are protected by combined inversion ($\mathcal{I}$) and time-reversal ($\mathcal{T}$) symmetries. Switching on the SOC gaps out the nodal lines and drives the system into a topological state with nonzero weak topological invariant $Z_2$ = (0; 001) and mirror Chern number $n_M$ = –2. Surface states on the naturally cleaved (001) surface are found to be nontrivial with a unique saddlelike energy dispersion with type II Van Hove singularities. We also discuss how modulating the crystal structure can drive Pt 2 HgSe 3 into a Dirac semimetal state with a pair of Dirac points. In this work, our results indicate that Pt 2 HgSe 3 is an ideal candidate material for exploring the properties of topological insulators with saddlelike surface states.