Tianxing Wang

Interlayer coupling effects on Schottky barrier in the arsenene-graphene van der Waals heterostructures

The electronic characteristics of arsenene-graphene van der Waals (vdW) heterostructures are studied by using first-principles methods. The results show that a linear Dirac-like dispersion relation around the Fermi level can be quite well preserved in the vdW heterostructures. Moreover, the p-type Schottky barrier (0.18u2009eV) to n-type Schottky barrier (0.31u2009eV) transition occurs when the interlayer distance increases from 2.8 to 4.5u2009A, which indicates that the Schottky barrier can be tuned effectively by the interlayer distance in the vdW heterostructures.

Modulation of the band structures and optical properties of holey C2N nanosheets by alloying with group IV and V elements

The band structures and optical characteristics of group IV (Si, Ge) and V (P, As) element-alloyed C2N monolayers are investigated by means of first-principles methods. The results indicate that C2N1−xPx and C2N1−xAsx alloys are easier to fabricate than C2−xSixN and C2−xGexN alloys. Moreover, it is feasible to construct mixed C2N1−xPx and C2N1−xAsx alloys with tunable composition and band gap. When the doping concentration increases, the band gap shows a decreasing tendency, and the absorption edges exhibit a red shift in these alloys. These obtained results predicate that C2N1−xPx and C2N1−xAsx alloys may be promising candidates for optoelectronic applications.