Abstract

Theoretically and experimentally evaluated optoelectronic properties of GZO (Ga-doped zinc oxide) were correlated in the present article. Density functional theory and Hubbard U (DFT + Ud + Up) first-principle calculations were used for the theoretical study. The pulsed laser deposition technique was used to fabricate GZO thin films on p-GaN, Al2O3, and p-Si substrates. X-ray diffraction graphs show single crystal growth of GZO thin films with (002) preferred crystallographic orientation. The chemical composition was studied via energy dispersive X-ray spectroscopy, and no other unwanted impurity-related peaks were found, which indicated the impurity-free thin film growth of GZO. Field emission scanning electron microscopic micrographs revealed noodle-, seed-, and granular-like structures of GZO/GaN, GZO/Al2O3, and GZO/Si, respectively. Uniform growth of GZO/GaN was found due to fewer mismatches between ZnO and GaN (0.09%). Hall effect measurements in the van der Pauw configuration were used to check electrical properties. The highest mobility (53 cm2/Vs) with a high carrier concentration was found with low laser shots (1800). A 5-fold photoluminescence enhancement in the noodle-like structure of GZO/GaN compared with GZO/Al2O3 and GZO/Si was detected. This points toward shape-driven optical properties because the noodle-like structure is more favorable for optical enhancements in GZO thin films. Theoretical (3.539 eV) and experimental (3.54 eV) values of the band-gap were also found to be comparable. Moreover, the lowest resistivity (3.5 × 10−4 Ωcm) with 80% transmittance is evidence that GZO is a successful alternate of ITO.

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