طيف فونوني و خواص گرمايي انبوهه و نانو لايه ي BP

Using first-principles calculations, we investigated the phonon spectrum and thermal properties of BP bulk and nanosheet. The results of phonon dispersion curves and phonon density of states are reported in the frame work of the Density unctional Perturbation Theory (DFPT). The frequency band gap observed for both of BP bulk and nanosheet. The calculated requency band gap for BP bulk is 156 cm-1 and for BP nanosheet is 291 cm-1. At low temperature the heat capacity of BP nanosheet is greater than of bulk