Band engineering of valleytronics WSe2–MoS2 heterostructures via stacking form, magnetic moment and thickness

Spin-valley polarization and bandgap regulation are critical in the developing of quantum devices.Here,by em-ploying the density functional theory,we investigate the effects of stacking form,thickness and magnetic moment in the electronic structures of WSe2-MoS2 heterostructures.Calculations show that spin-valley polarization maintains in all sit-uations.Increasing thickness of 2H-MoS2 not only tunes the bandgap but also changes the degeneracy of the conduction band minimums(CBM)at K/K1 points.Gradual increase of micro magnetic moment tunes the bandgap and raises the valence band maximums(VBM)at Γ point.In addition,the regulation of band gap by the thickness of 2H-MoS2 and intro-duced magnetic moment depends on the stacking type.Results suggest that WSe2-MoS2 heterostructure supports an ideal platform for valleytronics applications.Our methods also give new ways of optical absorption regulation in spin-valley devices.