3D Carbon Allotropes: Topological Quantum Materials with Obstructed Atomic Insulating Phases, Multiple Bulk‐Boundary Correspondences, and Real Topology

• DOI: 10.1002/adfm.202316079
• Publication Date: 2024-04-16T13:17:06Z
• Authors: Jianhua Wang; Ting‐Ting Zhang; Qianwen Zhang; Xia Cheng; Wenhong Wang; Shifeng Qian; Zhenxiang Cheng; Gang Zhang; Xiaotian Wang
• Keywords: Topological insulator

Abstract The study of topological phases with unconventional bulk‐boundary correspondences and nontrivial real Chern number has garnered significant attention in the states matter. Using first‐principle calculations theoretical analysis, a high‐throughput material screening 3D obstructed atomic insulators (OAIs) (RCIs) based on Samara Carbon Allotrope Database (SACADA) are performed. Results show that 422 out 703 carbon allotropes OAIs multiple correspondences, including 2D surface (OSSs) 1D hinge states, which 2Ds lower than bulk, respectively. OSSs these can be modified when subjected to appropriate boundaries, benefits investigation engineering development efficient catalysts. These OAIs, have boundary excellent platforms for multi‐dimensional boundaries research. Remarkably, 138 also RCIs, topology protection spacetime inversion symmetry. This work not only provides comprehensive list carbon‐based but guides their application various aspects phases.