Electronic band structures of group-IV two-dimensional materials: Spin-orbit coupling and group theoretical analysis

SURFACE SCIENCE

卷:714

Article

Putri, Salsabila Amanda¹  Yamaguchi, Yuki¹  Ariasoca, Thomas Aquino¹  Widianto, Muhammad Yusuf Hakim^1,3  Tagami, Katsunori²  Saito, Mineo³ 

[1] Kanazawa Univ, Grad Sch Nat Sci & Technol, Kanazawa, Ishikawa 9201192, Japan

[2] ASMS Co Ltd, Shinagawa Ku, Tokyo 1410022, Japan

[3] Kanazawa Univ, Fac Math & Phys, Inst Sci & Technol, Kanazawa, Ishikawa 9201192, Japan

关键词: Electronic structures;    Spin-orbit coupling;    Group theory;   

DOI  :  10.1016/j.susc.2021.121917

来源: Elsevier

【 摘 要 】

Band structures of group-IV two-dimensional materials are studied by carrying out first-principles calculations including spin-orbit coupling (SOC). We propose a method that identifies irreducible representations (IR) of bands by using computers. We identify IR for the planar and buckled structures and discuss the difference between bands obtained by non-SOC and SOC calculations. In particular, we clarify IR at the Dirac point where the bands split because of the SOC. We evaluate the Z(2) invariants based on identified IR, which suggests that all the systems are topological insulators.

【 授权许可】

Free