TY - JOUR
T1 - Electronic band structures of group-IV two-dimensional materials
T2 - Spin-orbit coupling and group theoretical analysis
AU - Putri, Salsabila Amanda
AU - Yamaguchi, Yuki
AU - Ariasoca, Thomas Aquino
AU - Widianto, Muhammad Yusuf Hakim
AU - Tagami, Katsunori
AU - Saito, Mineo
N1 - Publisher Copyright:
© 2021
PY - 2021/12
Y1 - 2021/12
N2 - 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 Z2 invariants based on identified IR, which suggests that all the systems are topological insulators.
AB - 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 Z2 invariants based on identified IR, which suggests that all the systems are topological insulators.
KW - Electronic structures
KW - Group theory
KW - Spin-orbit coupling
UR - http://www.scopus.com/inward/record.url?scp=85112543639&partnerID=8YFLogxK
U2 - 10.1016/j.susc.2021.121917
DO - 10.1016/j.susc.2021.121917
M3 - Article
AN - SCOPUS:85112543639
SN - 0039-6028
VL - 714
JO - Surface Science
JF - Surface Science
M1 - 121917
ER -