Abstract
Conference Title: 2015 International Conference on Computing, Control, Networking, Electronics and Embedded Systems Engineering (ICCNEEE) Conference Start Date: 2015, Sept. 7 Conference End Date: 2015, Sept. 9 Conference Location: Khartoum, Sudan Strontium fluoride (SrF2) is an important member of alkaline-earth fluorides for its intrinsic optical properties and superionic application at animated temperatures as well as thermoluminescent behavior. Using abinitio density functional theory (DFT) method and density functional perturbation theory (DFPT), the structural, phonon frequencies, optical properties and dielectric constants has been investigated. The calculations had been done using a first principle code Quantum espresso, implemented ultra-soft pseudo-potentials (US-PPs) and projector augmented wave (PAW) data sets with the local density approximation (LDA) and the generalized gradient approximation (GGA) for the exchange correlation. All pseudo-potentials showed results in a good agreement with other theoretical and experimental data.