Interaction of H and F atoms—Origin of the high conductive stability of hydrogen-incorporated F-doped ZnO thin films

We intentionally incorporated H into fluorine-doped ZnO thin films (FZO) by plasma treatment. Upon treatment, both mobility and electron concentration have an observable increase, especially the mobility reaches up to 30.1 cm²V⁻¹ s⁻¹ (3 times higher than the untreated films). H distributes in the FZO thin films uniformly via plasma treatment. The treated FZO thin films showed good conductive stability at 500 °C and saved for 6 months, until now. Origin of high conductive stability was explained by first principle calculation. The results predicted that hydrogen atoms in interstitial sites next to F_O are attracted by the incorporated fluorine atoms and this configuration has lower formation energy than the hydrogen in oxygen vacancy configuration. Thus, we owed the highly stable conductivity to the hydrogen as interstitial as well as hydrogen in oxygen vacancy. - Highlights: • We incorporated H into fluorine-doped ZnO thin films by plasma treatment. • Both mobility and electron concentration of the treated thin films have an observable increase. • The treated FZO thin films showed good conductive stability. • We owed the highly stable conductivity to the hydrogen as interstitial as well as hydrogen in oxygen vacancy