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Role of dopant local structure and defects in optical properties of SrHfO3:Ln3+ perovskite: experimental and theoretical studies

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Abstract

Rare earths (RE) doped perovskites have fetched significant attention in the area of optoelectronics but the success of the same depends heavily on local dopant structure and defects. Such information is seldom given importance in the literature and therefore not reported much. In this context local structure of Eu3+ and Ce3+ doped in SrHfO3 (SHOC and SHOE) and doping induced defects have been probed which will play a very important role in their application towards phosphor converted light emitting diodes. SHOC and SHOE demonstrated an efficient energy down conversion of mid-ultraviolet to near UV and visible light. Based on density functional theory (DFT) calculations it was found that both the dopants occupy Sr2+ sites in SHOE and SHOC. Density of state (DOS) calculations indicated that both Eu3+ and Ce3+ introduce localized defect states in the band gap that cause changes in the optical properties of SrHfO3. Positron annihilation lifetime spectroscopy (PALS) suggested that both these samples are highly enriched with negatively charged strontium vacancies (VSr) as a result of aliovalent doping of trivalent europium and cerium ions at divalent strontium sites. Luminescence lifetime spectroscopy revealed that Eu3+ and Ce3+ ions are distributed between close by and far-off distances from strontium vacancies (VSr). SrHfO3 shows a very weak thermoluminescence (TL) whereas SHOC and SHOE shows a distinct TL curve with the latter having enhanced intensity. This work will pave a new pathway in designing other RE doped perovskite luminescent materials for photo and thermoluminescent phosphor by judicious choice of RE ions and perovskite lattice.

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References

  1. C. Chen, C. Li, Z. Shi, Adv. Sci. 3, 1600029 (2016)

    Article  Google Scholar 

  2. I. Gupta, S. Singh, S. Bhagwan, D. Singh, Ceram. Int. 47, 19282–19303 (2021)

    Article  CAS  Google Scholar 

  3. S.K. Gupta, K. Sudarshan, R.M. Kadam, Mater. Today Commun. 27, 102277 (2021)

    Article  CAS  Google Scholar 

  4. R. Rajeswari, N. Islavath, M. Raghavender, L. Giribabu, Chem. Rec. 20, 65–88 (2020)

    Article  CAS  Google Scholar 

  5. R. Withnall, J. Silver, in Handbook of Visual Display Technology. ed. by J. Chen, W. Cranton, M. Fihn (Springer, Berlin, 2012), pp.1019–1028

    Chapter  Google Scholar 

  6. A.C. Berends, M.A. van de Haar, M.R. Krames, Chem. Rev. 120, 13461–13479 (2020)

    Article  CAS  Google Scholar 

  7. Z. Xia, A. Meijerink, Chem. Soc. Rev. 46, 275–299 (2017)

    Article  CAS  Google Scholar 

  8. S.K. Gupta, M. Mohapatra, V. Natarajan, S.V. Godbole, Int. J. Appl. Ceram. Technol. 10, 593–602 (2013)

    Article  CAS  Google Scholar 

  9. E. Rauwel, A. Galeckas, P. Rauwel, H. Fjellvåg, Adv. Funct. Mater. 22, 1174–1179 (2012)

    Article  CAS  Google Scholar 

  10. K. Ueda, T. Ogata, T. Honma, Inorg. Chem. 62(5), 2146–2152 (2023)

    Article  CAS  Google Scholar 

  11. K. Kamada, S. Kurosawa, Y. Shoji, J. Pejchal, Y. Ohashi, Y. Yokota, A. Yoshikawa, Opt. Mater. 41, 41–44 (2015)

    Article  CAS  Google Scholar 

  12. R. Zhang, Y. Jin, C. Wang, H. Wu, L. Chen, Y. Hu, J. Alloys Compd. 934, 167918 (2023)

    Article  CAS  Google Scholar 

  13. S.K. Gupta, M. Tyagi, K. Sudarshan, J. Lumin. 243, 118663 (2022)

    Article  CAS  Google Scholar 

  14. R. Zhang, Y. Jin, L. Yuan, K. Deng, C. Wang, G. Xiong, L. Chen, Y. Hu, J. Alloys Compd. 921, 166081 (2022)

    Article  CAS  Google Scholar 

  15. K. Qian, Y. Pan, Z. Hu, X. Chen, Y. Shi, X. Liu, H. Chen, M. Nikl, J. Li, J. Eur. Ceram. Soc. 40, 449–455 (2020)

    Article  CAS  Google Scholar 

  16. C.H. Jeon, D.H. Kim, J.S. Chung, Y.S. Lee, Y.J. Kwark, J. Korean Phys. Soc. 65, 1090–1095 (2014)

    Article  CAS  Google Scholar 

  17. P.E. Blöchl, Phys. Rev. B 50, 17953 (1994)

    Article  Google Scholar 

  18. G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999)

    Article  CAS  Google Scholar 

  19. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

    Article  CAS  Google Scholar 

  20. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46, 6671 (1992)

    Article  CAS  Google Scholar 

  21. H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)

    Article  Google Scholar 

  22. J. Paier, M. Marsman, K. Hummer, G. Kresse, I.C. Gerber, J.G. Ángyán, J. Chem. Phys. 124, 154709 (2006)

    Article  CAS  Google Scholar 

  23. M. Villanueva-Ibanez, C. Le Luyer, S. Parola, C. Dujardin, J. Mugnier, Opt. Mater. 27, 1541–1546 (2005)

    Article  CAS  Google Scholar 

  24. S. Yamanaka, T. Maekawa, H. Muta, T. Matsuda, S.-I. Kobayashi, K. Kurosaki, J. Solid State Chem. 177, 3484–3489 (2004)

    Article  CAS  Google Scholar 

  25. S.M. Alay-e-Abbas, S. Nazir, N.A. Noor, N. Amin, A. Shaukat, J. Phys. Chem. C 118, 19625–19634 (2014)

    Article  CAS  Google Scholar 

  26. D. Lee, Y. Seo, Y. Lee, H.-J. Noh, Solid State Commun. 150, 301–305 (2010)

    Article  CAS  Google Scholar 

  27. J.K. Thomas, H. Padma Kumar, S. Solomon, K.C. Mathai, J. Koshy, J. Alloys Compd. 508, 532–535 (2010)

    Article  CAS  Google Scholar 

  28. J.-J. Max, C. Chapados, J. Chem. Phys. 134, 164502 (2011)

    Article  Google Scholar 

  29. I.P. Sahu, D.P. Bisen, R.K. Tamrakar, K.V.R. Murthy, M. Mohapatra, J. Sci. Adv. Mater. Devices 2, 59–68 (2017)

    Article  Google Scholar 

  30. R. Phatak, S.K. Gupta, K. Krishnan, S.K. Sali, S.V. Godbole, A. Das, Dalton Trans. 43, 3306–3312 (2014)

    Article  CAS  Google Scholar 

  31. S. Papernov, M. Brunsman, J. Oliver, B. Hoffman, A. Kozlov, S. Demos, A. Shvydky, F. Cavalcante, L. Yang, C. Menoni, Opt. Express 26, 17608–17623 (2018)

    Article  CAS  Google Scholar 

  32. H. Chiba, S. Kurosawa, K. Harata, R. Murakami, A. Yamaji, Y. Ohashi, J. Pejchal, K. Kamada, Y. Yokota, A. Yoshikawa, Radiat. Meas. 90, 287–291 (2016)

    Article  CAS  Google Scholar 

  33. Y.M. Ji, D.Y. Jiang, L.S. Qin, J.J. Chen, T. Feng, Y.K. Liao, Y.P. Xu, J.L. Shi, J. Cryst. Growth 280, 93–98 (2005)

    Article  CAS  Google Scholar 

  34. P. Modak, B. Modak, Phys. Chem. Chem. Phys. 22, 16244–16257 (2020)

    Article  CAS  Google Scholar 

  35. S.K. Gupta, P.S. Ghosh, N. Pathak, R.M. Kadam, RSC Adv. 6, 42923–42932 (2016)

    Article  CAS  Google Scholar 

  36. D. Keeble, S. Wicklein, R. Dittmann, L. Ravelli, R. Mackie, W. Egger, Phys. Rev. Lett. 105, 226102 (2010)

    Article  CAS  Google Scholar 

  37. M. Qin, F. Gao, J. Cizek, S. Yang, X. Fan, L. Zhao, J. Xu, G. Dong, M. Reece, H. Yan, Acta Mater. 164, 76–89 (2019)

    Article  CAS  Google Scholar 

  38. I. Guler, N. Gasanly, Cryst. Res. Technol. 53, 1700134 (2018)

    Article  Google Scholar 

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Acknowledgements

Authors thank Dr. Ruma Gupta, FCD for SEM images, EDS spectra and FTIR spectrum of SHO.

Funding

The authors declare that no funds, grants, or other support were received during the preparation of this manuscript.

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Authors and Affiliations

  1. Radiochemistry Division, Bhabha Atomic Research Centre, Mumbai, 400085, India

    Santosh K. Gupta, G. Meena & K. Sudarshan

  2. Chemistry Division, Bhabha Atomic Research Centre, Mumbai, 400085, India

    Brindaban Modak

  3. Technical Physics Division, Bhabha Atomic Research Centre, Mumbai, 400085, India

    M. Tyagi

  4. Homi Bhabha National Institute, Anushaktinagar, Mumbai, 400094, India

    Santosh K. Gupta, Brindaban Modak, M. Tyagi & K. Sudarshan

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  1. Santosh K. Gupta
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  5. K. Sudarshan
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Contributions

SKG: Conceptualization, Data Curation, Formal Analysis, Visualization, Writing-Original Draft, Writing-Review and Editing. BM: Data Curation, Methodology, Investigation, Visualization, Writing-Original Draft. GM: Data Curation, Methodology, Investigation. MT: Data Curation, Methodology, Investigation. KS: Data Curation, Methodology, Investigation, Writing-Review and Editing.

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Correspondence to Santosh K. Gupta.

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Gupta, S.K., Modak, B., Meena, G. et al. Role of dopant local structure and defects in optical properties of SrHfO3:Ln3+ perovskite: experimental and theoretical studies. J Mater Sci: Mater Electron 34, 1729 (2023). https://doi.org/10.1007/s10854-023-11128-9

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  • DOI: https://doi.org/10.1007/s10854-023-11128-9

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