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Study the effect of doping cobalt ions into Zn(2−x)CoxSiO4 [x = 0, 0.056 and 0.167] structures on the optical properties and color parameters: experiment and calculation

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Abstract

Synthesis of high-color intensity blue pigments and using less amount of cobalt is intended in many papers. We also tried to study a highly intensified blue pigment using the least amount of cobalt in experimental and theoretical methods. In this work, the Zn(2−x)CoxSiO4 [x = 0, 0.056, and 0.167] structures were synthesized by the conventional ceramic method. Theoretical calculations were performed using DFT, DFT + U, and many-body Fxc kernel for the long-range correction (LRC) model. We studied the structural, electronic, and optical properties of the structures. A good match was observed between the experimental and theoretical results for all doped and undoped samples. The calculations of electronic properties revealed a decrease in the gap and Fermi energies of the theoretical samples as the doping concentration increased. The optical analysis, which utilizes UV–Vis spectroscopy and CIE L*a*b* calorimetric methods, showed a high blue color intensity (b* = − 49.3, − 46.71) obtained for pigments. Additionally, a comparison was made between the gap energy and color of the experimental and the theoretical samples. These findings highlight the capability of DFT, DFT + U, and Fxc kernel for the LRC model for ceramic pigments.

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Acknowledgements

This work has been supported by the Simorgh Supercomputer—Amirkabir University of Technology under Contract No. ISI-DCE-DOD-Cloud-900808-1700.

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Authors and Affiliations

  1. Department of Physics, Yazd University, Yazd, Iran

    R. Dehghan Banadaki, M. Khajeh Aminian & S. Y. Vaselnia

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Contributions

RDB: synthesis, formal analysis, writing-original draft, methodology, resources, and investigation. MKA: validation, writing—review and editing, conceptualization, supervision, and project administration. SYV theoretical calculation, revision, conceptualization, data curation, and visualization.

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Correspondence to M. Khajeh Aminian.

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Dehghan Banadaki, R., Khajeh Aminian, M. & Vaselnia, S.Y. Study the effect of doping cobalt ions into Zn(2−x)CoxSiO4 [x = 0, 0.056 and 0.167] structures on the optical properties and color parameters: experiment and calculation. Appl. Phys. A 130, 162 (2024). https://doi.org/10.1007/s00339-024-07309-w

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