Modelling of infrared optical constants for polycrystalline low pressure chemical vapour deposition ZnO:B films

Doped zinc oxide films are of high interest in thin film solar cell technology for application as transparent conducting oxide. Rapid and detailed characterisation of ZnO thin film properties is required for quality control and optimisation of the deposited films. In the present work, a new model of dielectric functions based on the effective medium approximation (EMA) is developed and is applied for characterisation of polycrystalline boron doped zinc oxide (ZnO:B) films, deposited by low pressure chemical vapour deposition (LPCVD) technique onto glass substrates. The model takes into account that polycrystalline ZnO is considered to consist of crystal grains surrounded by depletion layers. Using this model and Fourier Transform Infrared Spectroscopy (FTIR) performed in reflection configuration over a wide mid-infrared spectral region (from 2 μm up to 25 μm), the properties of depletion layer and the bulk of the grains in ZnO can be rapidly characterised in detail, and the volume fraction of the depletion layer can be extracted. The results are in good agreement with previously presented theories of electron transport in polycrystalline materials. Using electrical measurements like conductivity and Hall techniques in addition to the optically determined parameters, predominant electron scattering mechanisms in polycrystalline films for different doping levels are identified. The measurements show the impact of the doping level on depletion layer of the crystallites. It is shown, furthermore, that under a water vapour rich environment the volume fraction of the depletion layer may increase up to 5 times and more, while the mobility of the charge carriers in the depletion layer drops drastically from about 31 cm2V−1s−1 to about 8 cm2V−1s−1. This indicates that water vapour exposure causes an increase of the potential barrier in the grain boundary depletion layer, limiting the electron transport across the grain boundaries to a classical thermionic emission mechanism.