Authors: Bo Zhang
Addresses: Changzhou Institute of Mechatronic Technology, Changzhou 213164, China
Abstract: The first-principles calculations were performed to study the electronic band structures for indium-based transparent conductive oxides (TCOs). The electronic band structures of indium oxide (In2O3), indium tin oxide (ITO) and indium tin tantalum oxide (ITO:Ta) were investigated by the Vienna ab initio simulation package (VASP) with the projector-augmented-wave (PAW) method. This study shows that the introduction of Ta into ITO upgrades the Fermi level and improves the splitting of the conduction band. The further shift of the conduction band might be the driving force for the observed enhancement in the electrical conductivity of tantalum and tin-codoped In2O3. The study revealed the characters of electron states of indium-based material systems and the indium-based transparent conductive multicomponent oxides are suitable for wide applications because of their specialised properties.
Keywords: semiconductor compounds; electronic structure; density functional; electrical properties; electronic band structure; indium; multicomponent oxides; transparent conductive oxides; simulation.
International Journal of Microstructure and Materials Properties, 2014 Vol.9 No.1, pp.79 - 87
Available online: 24 May 2014 *Full-text access for editors Access for subscribers Purchase this article Comment on this article