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Cd-doping-assisted tuning of transparency and conductivity of MnIn2O4 by density functional quantum theoretical approach

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Abstract

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 \(E_{F}\) 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 \(E_{F}\), significantly modified the transparency and conductivity in MnInCdO4 at specific energy.

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Data Availability Statement

This manuscript has associated data in a data repository. [Authors’ comment: Data is availbe on reasonable request to the corresponding author].

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Authors and Affiliations

  1. Department of Physics, University of Management and Technology, Lahore, Pakistan

    Asif Nadeem & Muhammad Azhar Iqbal

  2. Department of Physics, Faculty of Engineering and Applied Sciences, Riphah International University, I-14 Campus, Islamabad, Pakistan

    Azmat Iqbal Bashir, Sikandar Azam & Amin Ur Rahman

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  1. Asif Nadeem
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The authors declare that they have no known competing financial interests or personal conflict of interest that could have appeared to influence the work reported in this paper.

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I Azmat Iqbal Bashir (Ph.D.) declare on behalf of all co-authors that the work is not submitted to any other journal at this stage. The work is original and is not published elsewhere. The work is an expansion in view of previous and ongoing research in the field. The references to the earlier work by others are given as correctly as possible. Acknowledgements to other works are given where applicable. All co-authors contributed to the research work.

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Nadeem, A., Bashir, A.I., Azam, S. et al. Cd-doping-assisted tuning of transparency and conductivity of MnIn2O4 by density functional quantum theoretical approach. Eur. Phys. J. Plus 138, 328 (2023). https://doi.org/10.1140/epjp/s13360-023-03911-8

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