AB INITIO CALCULATION OF THE ELECTRONIC AND OPTICAL PROPERTIES OF Cd1-xZnxO THIN FILMS
1Vusala Mammadova, 2Afet Kerimova
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ABSTRACT

In this study, the electronic and optical properties of Cd1-xZnxO (0 ≤ x ≤ 1) semiconductor thin films were analyzed based on density functional theory (DFT) and the results obtained during our experimental investigations. The variations in the band gap width and optical absorption spectra were examined against the background of a regular increase in Zn concentration, and the obtained results were compared with theoretical sources. The parabolic increase in the band gap and the changes in the refractive index confirm that Cd1-xZnxO thin films possess tunable properties suitable for optoelectronic devices. This research, conducted without experimental infrastructure and based solely on theoretical and literature data, is presented as an effective methodological example for researchers who lack access to real laboratory conditions.

Keywords: Cd1-xZnxO, band gap, DFT, optical properties, band structure, refractive index, Tauc method.
DOI:10.70784/azip.1.2025317

Received: 01.08.2025
Internet publishing: 03.09.2025    AJP Fizika E 2025 03 en p.17-19

AUTHORS & AFFILIATIONS

1. Baku State University
2. Institute of Physics Ministry of Science and Education Republic of Azerbaijan
E-mail: vusala.mammadova@bsu.edu.az

Graphics and Images

        

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