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The electric field effects on the electronic structure of g-C2N/XSe2 (X = Mo, W) heterostructures are investigated by first-principles calculations. The g-C2N/MoSe2 heterostructure is an indirect semiconductor at an electric field from −0.1 to 0.3 V/Å. The band gap is 0.66, 0.54, 0.45, 0.39 and 0.34 eV, which almost changes linearly with the electric field. The maximum spin splitting at K point is...
Spin polarization of graphene is the current subject of intense investigation efforts. Herewith, the interfacial electronic structure of graphene/hafnene two dimensional van der Waals heterostructures with different stacking configurations are investigated by first-principles calculations. It is found that the distinct electronic distribution and spin-polarized characteristic of the vdW heterostructures...
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