Tunable Electronic Properties and Large Rashba Splittings Found in Few-Layer BiSe/PtSe Van der Waals Heterostructures
arXiv:2012.07445 · doi:10.1021/acsaelm.0c00638
Abstract
We use first-principles calculations to show that van der Waals (vdW) heterostructures consisting of few-layer BiSe and PtSe exhibit electronic and spintronics properties that can be tuned by varying the constituent layers. Type-II band alignment with layer-tunable band gaps and type-III band alignment with spin-splittings have been found. Most noticeably, we reveal the coexistence of Rashba-type spin-splittings (with large parameters) in both the conduction and valence band stemming from few-layer BiSe and PtSe, respectively, which has been confirmed by spin-texture plots. We discuss the role of inversion symmetry breaking, changes in orbital hybridization and spin-orbit coupling in altering electronic dispersion near the Fermi level. Since low-temperature growth mechanisms are available for both materials, we believe that few-layer BiSe/PtSe vdW heterostructures are feasible to realize experimentally, offering great potential for electronic and spintronics applications.
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