The investigation of pressure effect on the optical properties, spontaneous polarization and effective mass: Ab initio study

International Conference on Quantum Physics and Nuclear Engineering

March 14-16, 2016 London, UK

C Azahaf, H Zaari, A Abbassi, H Ez-Zahraouy and A Benyoussef

University Mohammed V-AgdalRabat, Morocco
Moroccan Foundation for Advanced Science, Innovation and Research, Morocco
Hassan II Academy of Science and Technology, Morocco

Posters & Accepted Abstracts: J Laser Opt Photonics

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 electronic polarization increases in a linear behavior. These results confirm that BaHfO3 is a piezoelectric material. Optical absorption and effective mass have been also studied.

Biography :

Email: ezahamid@fsr.ac.ma