Interlayer interaction controlling the properties of AB- and AA-stacked bilayer graphene-like BC14n and si2c14

摘要: Abstract We model bilayer graphene-like materials with Si2C14 and BC14N stoichiometry, where the interlayer interactions play important roles shaping physical properties of systems. find interaction in to be repulsive due Si-Si atoms, it is attractive B N atoms. The opens up a bandgap while induces small indirect bandgap. Furthermore, decreases Young modulus does not influence much. stress-strain curves both AA- AB-stackings are suppressed compared pure graphene bilayers. optical response very sensitive an applied electric field enrichment spectra found at low energy. attributed opening increased energy spacing between π-π* bands. In BC14N, reduced or overlapping Last, high Seebeck coefficient observed presence direct Si2C14, much enhanced BC14N.