Electronic and optical responses, Compton spectroscopy and manifestation of trapping centres of LiF:Mg,Ti

Abstract

Electronic structure to judge trapping centres and activation energies in Mg-doped (2–8%) and Mg,Ti co-doped (2–3% each) LiF phosphors are presented using full-potential linearized APW method. Compton measurement for LiF is performed for appropriate choice of exchange-correlation potentials used in electronic properties. It is seen that 2–6% of Mg activator leads to formation of electronic traps with activation energy between 0.79 and 0.49 eV. At high concentration (>6%) of Mg, the formation of trap centres vanishes. Co-doping of 2% Mg,Ti permits the formation of trap centres, which is in contrast to higher concentrations. Mg-3s states play key role in the building of electronic trap centres. Higher concentration of Ti and Mg activators in LiF leads to the widening of 3d and 3s states, respectively. Analysis of optical response (frequency-dependent dielectric constants, trapping centres, and absorption coefficients) of 2% Mg-doped and 2% Mg,Ti co-doped LiF suggest their dosimetric applications and in ultra-violet detection.