Azahaf Chaimae
University of science, Laboratory of magnetism and physics high energies, Morocco
Title: The investigation of pressure effect on the Optical properties, spontaneous polarization and effective Mass of BaHfO3: Ab initio study
Biography
Biography: Azahaf Chaimae
Abstract
Optical properties and spontaneous polarization of cubic perovskite BaHfO3 under pressure have been investigated using the Full Potential Linear Augmented Plane Wave (FP-LAPW) method as implemented in the Wien2k code, in connection with the Generalized Gradient Approximation (GGA). The pressure is among the external factors that can affect physical properties of materials; we will show that the pressure affects the optical properties, more accurately it allows the reduction of band gap, and increase the spontaneous polarization in a quasi-linear behavior.These results confirm that BaHfO3 is a piezoelectric material, and the Optical absorption and effective mass increasing as pressure increases.