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Van der Waals heterostructures formed by stacking different types of 2Dmaterials are attracting increasing attention due to new emergent physicalproperties such as interlayer excitons. Recently synthesized atomically thinindium selenide (InSe) and antimony (Sb) individually exhibit interestingelectronic properties such as high electron mobility in the former and highhole mobility in the latter. In this work, we present a first-principlesinvestigation on the stability and electronic properties of ultrathin bilayerheterostructures composed of InSe and Sb single layers. The calculatedelectronic band structures reveal a direct band gap semiconducting nature ofthe InSe/Sb heterostructures independent of stacking pattern. Taking spin-orbitcoupling into account, we find a large Rashba spin splitting at the bottom ofconduction band, which originates from the atomic spin-orbit coupling with thesymmetry breaking in the heterostructure. The strength of the Rashba spinsplitting can be tuned by applying in-plane biaxial strain or an out-of-planeexternal electric field. The presence of large Rashba spin splitting togetherwith a suitable band gap in InSe/Sb bilayer heterostructures make thempromising candidates for spin field-effect transistor and optoelectronic deviceapplications.

Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers