Dirac Line Nodes in Inversion-Symmetric Crystals

Abstract

We propose and characterize a new Z2 class of topological semimetals with a vanishing spin-orbit interaction. The proposed topological semimetals are characterized by the presence of bulk one-dimensional (1D) Dirac line nodes (DLNs) and two-dimensional (2D) nearly flat surface states, protected by inversion and time-reversal symmetries. We develop the Z2 invariants dictating the presence of DLNs based on parity eigenvalues at the parity-invariant points in reciprocal space. Moreover, using first-principles calculations, we predict DLNs to occur in Cu3N near the Fermi energy by doping nonmagnetic transition metal atoms, such as Zn and Pd, with the 2D surface states emerging in the projected interior of the DLNs. This Letter includes a brief discussion of the effects of spin-orbit interactions and symmetry breaking as well as comments on experimental implications.

Publication
Phys. Rev. Lett. 115, 036806

Experimental Note: Bulk nodal lines and drumhead surface states experimentally confirmed in works including APL Mater. 3, 083602 (2015), Nat. Comm. 7, 10556 (2016), Science 365, 1278 (2019), and Phys. Rev. X 10, 011026 (2020).