▎ 摘 要
First-principles calculation has been performed to investigate the stability and electronic properties of double-layer graphene heterostructure (DLGH). In this system, two graphene layers are separated by hexagonal boron-nitride (h-BN) layers that work as an insulating barrier. Our results show that the stability of the system is determined by the atomistic configurations between graphene and its adjacent h-BN layer. Among different stacking sequences, Ab-stacking is most stable. Since the inserted h-BN layers modulate the on-site energies for carbon atoms of graphene layers, the electronic states of the system can be classified into metallic or semiconducting on the basis of the stacking sequence. Moreover, the stacking sequence dependence of the energy band structures of DLGHs is well described using the orbital interaction model. (C) 2014 The Japan Society of Applied Physics