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arXiv · 2012.07445

Tunable Electronic Properties and Large Rashba Splittings Found in Few-Layer Bi$_2$Se$_3$/PtSe$_2$ Van der Waals Heterostructures

Shahid Sattar·J. Andreas Larsson
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Abstract

We use first-principles calculations to show that van der Waals (vdW) heterostructures consisting of few-layer Bi$_2$Se$_3$ and PtSe$_2$ 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 $\alpha_{\rm R}$ parameters) in both the conduction and valence band stemming from few-layer Bi$_2$Se$_3$ and PtSe$_2$, 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 Bi$_2$Se$_3$/PtSe$_2$ vdW heterostructures are feasible to realize experimentally, offering great potential for electronic and spintronics applications.

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Shahid Sattar, J. Andreas Larsson. 2020-12-14. Tunable Electronic Properties and Large Rashba Splittings Found in Few-Layer Bi$_2$Se$_3$/PtSe$_2$ Van der Waals Heterostructures. https://doi.org/10.1021/acsaelm.0c00638

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