Electronic structure and transport property of bilayer MoSe2 with AA and AB stacking

In this work, we have analyzed the electronic structure and transmission spectrum of the AA and AB stackedbilayer (2L) MoSe2. The band gap of 2LMoSe2is indirect in nature, with band gap value of AA stacking1.15× times higher than AB stacking. The density functional theory (DFT) calculations in combinations with the non-equilibrium Green’s function (NEGF) approach is used to calculate the transmission spectra of 2L-(AA/AB) MoSe2. Further, we comparedthe transmission spectrumof 2L-(AA/AB) MoSe2 along the zigzag (ZZ) and Armchair (AC) orientation using orthorhombic structure of 2L-MoSe2. The results of this analysis will guide researchers in the area of 2L-MoSe2for futuretwo-dimensional (2D) electronic deviceapplications.