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Department of Physics, University Kafin-Hausa , Jigawa State , Nigeria
Universiti Teknologi Malaysia , Skudai Johor Bahru , Malaysia
Universiti Teknologi Malaysia , Skudai Johor Bahru , Malaysia
Universiti Teknologi Malaysia , Skudai Johor Bahru , Malaysia
Department of Physics, Faculty of Science, Federal University Dutse , Dutse , Nigeria
Department of Physics, University Kafin-Hausa , Jigawa State , Nigeria
Department of Physics, Sule Lamido, ahun-Kano Road, University Kafin-Hausa , Jigawa State , Nigeria
This paper investigates new alternative spinel materials as transparent conducting oxides (TCOs). The physical properties of spinel-type materials make them well suited for many industrial applications. Besides, it opens the door for new technological applications including the possibility of transparent flexible electronics. The structural properties of Ba2SiO4 are studied by first-principles calculations within the density functional theory (DFT) framework. Many-body perturbation theory (MBPT) based on a random phase approximation (G0W0 + RPA) approach was used to compute the optical properties. The bare DFT calculations showed that the energy bandgap of Ba2SiO4 using GGA-PBEsol and LDAPZ was found to be 4.89 eV and 4.02 eV respectively. These results confirm that Ba2SiO4 is a wide bandgap material which is one of the fundamental properties of transparent conducting materials. The results on the optical properties of Ba2SiO4 with the inclusion of electron-hole interaction (G0W0 + RPA) showed that the conductivity for Ba2SiO4 is 4.28 x 104 Ωcm-1 at a photon energy of 9.56 eV and 74.69 x 104 Ωcm-1 at a photon energy of 15.69 eV respectively. Finally, the results reveal the suitability of Ba2SiO4 spinel for many optoelectronic and transparent conducting devices.
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