Unveiling giant hidden Rashba effects in two-dimensional Si2Bi2

Recently, it has been known that the hidden Rashba (R-2) effect in two-dimensional materials gives rise to a physical phenomenon called spin-layer locking (SLL). However, not only its underlying fundamental mechanism has 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, 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 2D material Si2Bi2 possesses an ideal condition for the strong R-2 SLL, whose Rashba strength is evaluated to be 2.16 eVA, 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.