Abstract
We investigate, using first-principles methods and effective-model simulations, the spin-orbit coupling proximity effects in a bilayer heterostructure comprising phosphorene and monolayers. We specifically analyze holes in phosphorene around the point, at which we find a significant increase of the spin-orbit coupling that can be attributed to the strong hybridization of phosphorene with the bands. We also propose an effective spin-orbit model based on the symmetry of the studied heterostructure. The corresponding spin-orbit field can be divided into two parts: the in-plane field, present due to the broken nonsymmorphic horizontal glide mirror plane symmetry, and the dominant out-of-plane field triggered by breaking the out-of-plane rotational symmetry of the phosphorene monolayer. Furthermore, we also demonstrate that a heterostructure with twist angle exhibits an opposite out-of-plane spin-orbit field, indicating that the coupling can effectively be tuned by twisting. The studied phosphorene/ bilayer is a prototypical low common-symmetry heterostructure in which the proximity effect can be used to engineer the spin texture of the desired material.
- Received 23 June 2023
- Revised 25 August 2023
- Accepted 13 September 2023
DOI:https://doi.org/10.1103/PhysRevB.108.115311
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