https://doi.org/10.1140/epjp/s13360-023-03911-8
Regular Article
Cd-doping-assisted tuning of transparency and conductivity of MnIn2O4 by density functional quantum theoretical approach
1
Department of Physics, University of Management and Technology, Lahore, Pakistan
2
Department of Physics, Faculty of Engineering and Applied Sciences, Riphah International University, I-14 Campus, Islamabad, Pakistan
Received:
22
November
2022
Accepted:
17
March
2023
Published online:
12
April
2023
Spinel oxides have attracted huge attention from researchers owing to their fundamental potential and applied prospects. In particular, it is highly desirable to enhance simultaneously the transparent and conducting nature of spinel oxides for many device applications such as display screens. To achieve the task, we report a comparative analysis on the spin-polarized electronic and optical properties of manganese-indium-dioxide (MnIn2O4) spinel and its Cd-doped counterparts MnIn2−xCdxO4 (x = 0.25, 0.50, 0.75, 1). For the quantum-computation analysis of the required properties, we apply density functional theory within Tran-Blaha Modified Becke–Johnson functional to account for electronic exchange correlation. The calculated energy bandgap of MnIn2O4 is 0.8 eV for majority spin and 1.2 eV for minority spin. We observe a considerable modification in bandgap of MnIn2O4 with Cd-doping concentration along with the enhancement of intensity of DOS (density of states) near 
level. The maximum bandgap of 1.8 eV and 2.1 eV is predicted for majority and minority spin for the compound MnInCdO4. The Cd doping-assisted enhancement of bandgap and DOS near , significantly modified the transparency and conductivity in MnInCdO4 at specific energy.
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© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
