Unveiling Giant Hidden Rashba Effects in Two-Dimensional Si$_2$Bi$_2$

Recently, it has been known that the hidden Rashba (R-2) effect in two-dimensional materials gives rise to a novel physical phenomenon called spin-layer locking (SLL). However, not only has its underlying fundamental mechanism been unclear, but also there are only a few materials exhibiting weak SLL. Here, through the first-principles density functional theory and model Hamiltonian calculation, we reveal that the R-2 SLL can be determined by the competition between the sublayer-sublayer interaction and the spin-orbit coupling (SOC), which is related to the Rashba strength. In addition, the orbital angular momentum distribution is another crucial point to realize the strong R-2 SLL. We propose that a novel 2D material Si$_2$Bi$_2$ possesses an ideal condition for the strong R-2 SLL, whose Rashba strength is evaluated to be 2.16 eV{\AA}, which is the greatest value ever observed in 2D R-2 materials to the best of our knowledge. Furthermore, we reveal that the interlayer interaction in a bilayer structure ensures R-2 states spatially farther apart, implying a potential application in spintronics.
Comment: Main manuscript: 18 pages, 4 figures Supplementary Information: 12 pages, 8 figures