Theoretical study on electronic and optical properties of Zinc Oxide for photonic applications

• Main Authors: Mohd. Halim, Siti Nabilah, Mohammad Taib, Mohammad Fariz, Shafie, Suhaidi, Ahmad, Fauzan
• Format: Conference or Workshop Item
• Published: 2022
• Subjects: Q Science (General)
• Online Access: http://eprints.utm.my/id/eprint/98983/; http://dx.doi.org/10.1063/5.0083671
• Institution: Universiti Teknologi Malaysia

Zinc Oxide (ZnO) has received much attention in the field of optoelectronic due to its promising optical properties of high transparency material achieved experimentally. This research work employed ZnO wurtzite structure in density functional calculation for systematically analyzes its theoretical electronic and optical properties. The computational work is done within the local density approximation (LDA) and LDA + U frameworks. Due to localized Zn-3d electrons, the incorporation of Hubbard correction parameter is needed to produce band gap value close to established experimental data. Further investigation on optical properties has reveals the anisotropy of ZnO characteristic which is useful for photonics application.