Calculation of the lattice dynamical properties of black phosphorus based on the adiabatic bond charge model (BCM) is presented. The results obtained are in good agreement with the experiments including infrared active optical modes which were unable to be explained by the valence force field model. It is shown that the success of BCM in explaining these modes is attributed to the fact that it contains the degrees of freedom corresponding to the polarization accompanying these modes.
ASJC Scopus subject areas
- Physics and Astronomy(all)