Abstract
In this work, the effects of F incorporation in a-ZnON are investigated through first-principles calculations and experimental demonstrations. Based on first-principles calculations, the incorporated F in a-ZnON prefers to have structural properties similar to ZnF2 rather than merely serving as a substitute for the anion of ZnON. Therefore, this feature of F not only effectively makes the VN formation difficult but also greatly improves the structural order of Zn–N bonds near F. The experimental results also confirmed that similar to the calculational results, the nonstoichiometric and stoichiometric Zn–N bonds were decreased and increased, respectively, by F incorporation through the x-ray photoelectron spectroscopy analysis of the N 1s subpeaks. Furthermore, the F-doped zinc oxynitride thin-film transistors exhibited significantly improved transfer characteristics with high field-effect mobility (>50 cm2/Vs). The corresponded theoretical and experimental results demonstrated the role of incorporated F as a carrier controller and a structural stabilizer for ZnON.
Highlights
Future display applications, such as organic light-emitting diode (OLED) and micro-light-emitting diode displays with extremely high resolution (Super high vision, 8000 × 4000), large size (>85 in.), and a high frame rate (>480 Hz), demand relatively high driving current
To qualitatively study the structural effect of F incorporation, the analysis was performed on the stoichiometric compound aZnONF, compared to the above stoichiometric a-zinc oxynitride (ZnON) results
Based on the above discussions, the microscopic mechanism underlying why the doping of F in a-ZnON reduces the density of free carriers can be summarized as follows: (i) effect of the direct removal of VN: the decrease in the VN concentration of F-doped aZnON is evident due to the following reasons: the absolute amount of N atoms per volume decreases with an increasing number of F dopants and the VF formation is almost negligible due to the significant strength of Zn–F bonds compared to Zn–N bonds
Summary
Future display applications, such as organic light-emitting diode (OLED) and micro-light-emitting diode (micro-LED) displays with extremely high resolution (Super high vision, 8000 × 4000), large size (>85 in.), and a high frame rate (>480 Hz), demand relatively high driving current. The F-incorporated ZnON (ZnON:F) TFTs exhibited significantly improved transfer characteristics with high field-effect mobility (>50 cm2/Vs).
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