2D ZrS2: An experimentally realizable monolayer with multiple linear Weyl point phonons

Abstract

In recent years, there has been a great deal of interest in predicting Weyl physics in phonons due to the unique properties of topological phonons. In this study, we postulate that ZrS2 is a candidate material with multiple Linear Weyl point (LWP) phonons at the K (or K') high-symmetry point in its phonon curves. The existence of an opposite quantized Berry phase at the K and K' valleys determines the topologically nontrivial nature of these LWPs. Fascinatingly, the nonzero quantized Berry phase at the two valleys produced phononic edge states on the (100) surface. On the one hand, our research emphasizes for the first time the topological phononic properties of 2D ZrS2. On the other hand, note that 2D ZrS2 is an experimentally feasible material, making it a concrete material platform for investigating and confirming the predicted topological physics.

Keywords

• Topological phonons
• Phonon dispersions
• 2D transition metal dichalcogenide monolayer, Linear Weyl points in 2D
• First-principle calculations