Kajian Electronic Structure pada ZnO Nanoparticles Menggunakan Ionization Energy-Tight Binding Model

Abstract

Zinc oxide (ZnO) nanoparticles have been investigated intensively due to their applications such as in optical band gap energy for semiconductor application. In general, the characterization of band gap energy of the ZnO nanoparticles has been carried out using UV-Vis spectroscopy. In this work, ionization energy-tight binding model was developed to analyze the optical band gap energy of the ZnO nanoparticles. The primary technique of the electronic structure calculation is an analytical calculation of overlap integral of 2p orbital from O and 3d orbital from Zn. The result of the calculation presents that the maximum band gap energy of ZnO nanoparticles is about of 4.4 eV, which show the similar value with experiment result.