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

نویسندگان

چکیده

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) bands using computers. identify IR for the planar and buckled discuss difference between obtained non-SOC SOC calculations. In particular, we clarify at Dirac point where split because SOC. evaluate Z2 invariants based on identified IR, which suggests all systems topological insulators.

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ژورنال

عنوان ژورنال: Surface Science

سال: 2021

ISSN: ['1879-2758', '0039-6028']

DOI: https://doi.org/10.1016/j.susc.2021.121917