Crystal structure, energy band and optical properties of dysprosium monophosphate DyPO4

The monophosphate DyPO4 has been synthesized by high temperature solid-state reaction method and was structurally characterized by single crystal X-ray diffraction. DyPO4 crystallizes in the tetragonal system (I41/Iamd). The energy-band structure, density of states and the chemical bonds have been investigated by density functional methods (DFT).287