▎ 摘　　要

We simulate the situation where a monolayer (ML) graphene was pesudomorphically grown on the (001) plane of a cubic zinc-blende (ZB) Boron Phosphide (BP) substrate. This would induce 7% of perpendicular strain, and open the ML graphene bandgap of up to 168 meV. The graphene PDOS diagram, shows that the 2s(2) and 2p(2) states at <-2 eV contributed to the tensile epsilon(1) strain in x direction. The 2p(2) state at >-2 eV corresponded to the compressive epsilon(2) strain in y direction. The nanostructure built was found to be a semimetal.