Impact of thickness on optoelectronic properties of α-MoO3 film photodetectors

Integrating first-principles calculations with experimental analysis

Journal article (2023)

Authors

Mohamed A. Basyooni-M.Kabatas Selçuk University
Mohamed Achehboune Namur Institute of Structured Matter
Şule Ateş Selçuk University
Yasin Ramazan Eker Necmettin Erbakan University
Issam Boukhoubza National Institute of Materials Physics
A. E.H. Gaballah National Institute of Standards (NIS)
Mohammed Tihtih University of Miskolc
Walid Belaid Selçuk University
Redouane En-nadir University Sidi Mohammed Ben Abdellah
Issam Derkaoui University Sidi Mohammed Ben Abdellah
Ahmed M. Abdelbar Al-Azhar University
Shrouk E. Zaki National Research Center
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Published Date

2023

Language

English

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Abstract

This study focused on investigating the optoelectronic properties of molybdenum trioxide (α-MoO3) thin films using the atomic layer deposition (ALD) technique through different cycle numbers and theoretical investigation. Initial band gap calculations using standard DFT with GGA-PBE resulted in a value of 1.19 eV, which deviated significantly from experimental measurements. The GGA + U method with Hubbard U corrections was applied for the first time to improve the accuracy. This refinement led to a more precise band gap value of 3.09 eV, closely matching previously reported experimental data. The electronic parameters of the α-MoO3 photodetector, such as ideality factor (n), barrier height (Φ0), and series resistance (Rs), were analyzed using the thermionic emission theory and confirmed by Cheung and Nord's methods. The results demonstrated that the sample deposited with 100 pulses exhibited higher photodetector performance under UV illumination, despite having a lower Rs.