Type-II Dirac fermions in the PtSe$_2$ class of transition metal dichalcogenides

TL;DR

This paper predicts the existence of symmetry-protected type-II Dirac fermions in PtSe$_2$-type transition metal dichalcogenides, characterized by tilted Dirac cones and novel surface states, expanding the understanding of exotic quasiparticles in materials.

Contribution

It introduces the first prediction of symmetry-protected type-II Dirac fermions in a class of transition metal dichalcogenides based on first-principles calculations.

Findings

Discovery of bulk type-II Dirac fermions in PtSe$_2$

Identification of strongly tilted Dirac cones and novel surface states

Correlation between structural symmetry and existence of type-II Dirac fermions

Abstract

Recently, a new "type-II" Weyl fermion, which exhibits exotic phenomena such as angle-dependent chiral anomaly, was discovered in a new phase of matter where electron and hole pockets contact at isolated Weyl points. [Nature \textbf{527}, 495 (2015)] This raises an interesting question whether its counterpart, i.e., type-II \textit{Dirac} fermion, exists in real materials. Here, we predict the existence of symmetry-protected type-II Dirac fermions in a class of transition metal dichalcogenide materials. Our first-principles calculations on PtSe$_2$ reveal its bulk type-II Dirac fermions which are characterized by strongly tilted Dirac cones, novel surface states, and exotic doping-driven Lifshitz transition. Our results show that the existence of type-II Dirac fermions in PtSe$_2$-type materials is closely related to its structural $P\bar{3}m1$ symmetry, which provides useful guidance for the experimental realization of type-II Dirac fermions and intriguing physical properties distinct from those of the standard Dirac fermions known before.