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Application of topological quantum chemistry in electrides
Simin Nie, Yuting Qian, Jiacheng Gao +3
The recently developed theory of topological quantum chemistry (TQC) has built a close connection between band representations in momentum space and orbital characters in real spac…
Spontaneous Formation of a Superconductor-Topological Insulator-Normal Metal Layered Heterostructure
Yu-Qi Wang, Xu Wu, Ye-Liang Wang +13
The discovery of graphene has spurred vigorous investigation of 2D materials, revealing a wide range of extraordinary properties and functionalities. 2D heterostructural materials…
High-throughput screening for Weyl Semimetals with S Symmetry
Jiacheng Gao, Yuting Qian, Simin Nie +3
Based on irreducible representations (or symmetry eigenvalues) and compatibility relations, a material can be predicted to be a topological/trivial insulator [satisfying compatibil…
Topological phase transition in layered magnetic compound MnSb2Te4: Spin-orbit coupling and interlayer coupling dependeces
Liqin Zhou, Zhiyun Tan, Dayu Yan +3
Based on the first-principles calculations and theoretical analysis, we investigate the electronic structures, topological phase transition (TPT) and topological properties of laye…