Spin-valley polarization and bandgap regulation are critical in the developing of quantum devices.Here,by employing the density functional theory,we investigate the effects of stacking form,thickness and magnetic mome...Spin-valley polarization and bandgap regulation are critical in the developing of quantum devices.Here,by employing the density functional theory,we investigate the effects of stacking form,thickness and magnetic moment in the electronic structures of WSe_(2)–MoS_(2)heterostructures.Calculations show that spin-valley polarization maintains in all situations.Increasing thickness of 2H-MoS_(2)not only tunes the bandgap but also changes the degeneracy of the conduction band minimums(CBM)at K/K_(1) points.Gradual increase of micro magnetic moment tunes the bandgap and raises the valence band maximums(VBM)atΓpoint.In addition,the regulation of band gap by the thickness of 2H-MoS_(2)and introduced magnetic moment depends on the stacking type.Results suggest that WSe_(2)–MoS_(2)heterostructure supports an ideal platform for valleytronics applications.Our methods also give new ways of optical absorption regulation in spin-valley devices.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61975224 and 12104004)the University Synergy Innovation Program of Anhui Province(Grant No.GXXT-2020-050)+2 种基金the Fund of Anhui Provincial Natural Science Foundation(Grant No.2008085MF206)New magnetoelectric materials and devices,the Recruitment Program for Leading Talent Team of Anhui Province 2020,State Key Laboratory of Luminescence and Applications(Grant No.SKLA-2021-03)the Open Fund of Infrared and Low-Temperature Plasma Key Laboratory of Anhui Province(Grant No.IRKL2022KF03)。
文摘Spin-valley polarization and bandgap regulation are critical in the developing of quantum devices.Here,by employing the density functional theory,we investigate the effects of stacking form,thickness and magnetic moment in the electronic structures of WSe_(2)–MoS_(2)heterostructures.Calculations show that spin-valley polarization maintains in all situations.Increasing thickness of 2H-MoS_(2)not only tunes the bandgap but also changes the degeneracy of the conduction band minimums(CBM)at K/K_(1) points.Gradual increase of micro magnetic moment tunes the bandgap and raises the valence band maximums(VBM)atΓpoint.In addition,the regulation of band gap by the thickness of 2H-MoS_(2)and introduced magnetic moment depends on the stacking type.Results suggest that WSe_(2)–MoS_(2)heterostructure supports an ideal platform for valleytronics applications.Our methods also give new ways of optical absorption regulation in spin-valley devices.
