Van der Waals heterostructure of phosphorene and hexagonal boron nitride: First-principles modeling |
(a) The band gap of the P/BN heterostructure as a function of the interfacial distance. The BN layer is fixed and only the phosphorene layer is moved away from the BN layer. The red dot represents the equilibrium position. (b) Plane-averaged electrostatic potentials of P/BN at different interfacial distances |