Blue phosphorene: Calculation of five-band k.p Hamiltonian based on group theory and infinitesimal basis transformations approach

摘要

In this study, we present the matrix representation of a five-band effective k.p Hamiltonian of monolayer blue phosphorene using the group theory and infinitesimal basis transformations approach. To the best of our knowledge, using the symmetry properties of monolayer blue phosphorene, which belongs to the D-3d point group, and considering five bands (four in the valence band (VB) and one in the conduction band (CB)), we extract the matrix representation of the effective kb.p Hamiltonian of monolayer blue phosphorene at the Gamma point for the first time. The matrix elements of the Hamiltonian definitely show the anisotropy of VB and CB, and they have different effective masses at the center of the Brillouin zone.