Three-dimensional real Chern insulator in bulk $\gamma$-graphyne

Abstract

The real Chern insulator state, featuring nontrivial real Chern number and second-order boundary modes, has been revealed in a few two-dimensional systems. The concept can be extended to three dimensions (3D), but a proper material realization is still lacking. Here, based on first-principles calculations and theoretical analysis, we identify the recently synthesized bulk $\gamma$-graphyne as a 3D real Chern insulator. Its nontrivial bulk topology leads to topological hinge modes spreading across the 1D edge Brillouin zone. Under compression of the interlayer distance, the system can undergo a topological phase transition into a real nodal-line semimetal, which hosts three bulk nodal rings and topological boundary modes on both surfaces and hinges. We also develop a minimal model which captures essential physics of the system.