First-principle investigations of pressure effect on optical properties of SrPuO 3

Abstract The study discusses the pressure-induced behavior of structural and optical properties of rare earth metal cubic perovskite SrPuO 3 . The lattice parameter is found 4.33 Å, which agrees with other studies and the bulk modulus of the structure is 157.989 GPa. First-principle computation shows that the value of dielectric constants falls drastically in the visible range. With increasing pressure, there is a significant increase in absorption and conductivity of the material. These increases occur inside the visible range, promoting the material to be used as optoelectronic devices. Reflectivity and refractive index under pressure is found to be high for the red light and low for the violet zone. Again, these start to increase for additional frequencies. The frequency-dependent…