Generate QR code
Open Access
Subscription Access
Investigation of the Local Structure and Electron Paramagnetic Resonance Parameters of Tetragonal Cu2+ Centers in Sodium Fluoride-Sodium Borate Glasses
Abstract
The local structure and electron paramagnetic resonance (EPR) parameters (gi factors and Ai constants, i = ||, ⊥) of the tetragonal Cu2+ centers in sodium fluoride-sodium borate glasses (80Na2B4O7-19NaF-CuO) are theoretically investigated using a high-order perturbation formula for the parameters of Cu2+ ions in tetragonally elongated octahedra. On the basis of the superposition model, relationships between the local structure and the EPR parameters are constructed. By comparing the calculated g-factors and A-constants with experimental data for the [CuO6]10– cluster, the local structure parameters of the Cu2+ centers were determined. The calculated bond lengths perpendicular and parallel to the C4 axis were determined to be R∥ ≈ 2.191 Å and R⊥ ≈ 1.964 Å, respectively, as a result of the Jahn-Teller distortion effect. These findings are consistent with experimental observations, demonstrating the accuracy of our theoretical model and the validity of the Jahn–Teller effect in describing the structural characteristics of the Cu2+ centers in this system.
About the Authors
J. Z. Lin
Jiangsu University of Science and Technology
China
China
Zhangjiagang
B. F. Zhang
Jiangsu University of Science and Technology
China
China
Zhangjiagang
H. W. You
Jiangsu University of Science and Technology
China
China
Zhangjiagang
H. J. Xin
Jiangsu University of Science and Technology
China
China
Zhangjiagang
X. Zhao
Jiangsu University of Science and Technology
China
China
Zhangjiagang
References
1. K. MacDonald, D. Boyd, Materials, 15, 6247 (2022).
2. M. Bengisu, J. Mater. Sci., 51, 2199–2242 (2016).
3. K. Akhtar, J. A. Baig, T. G. Kazi, Sirajuddin, H. I. Afridi, F. N. Talpur, I. B. Solangi, S. Samaijo, Microchem. J., 174, 107073 (2022).
4. F. Yan, X. Y. Ma, Q. F. Jin, Y. Tong, H. L. Tang, X. Y. Lin, J. Y. Liu, Microchim. Acta, 187, 470 (2020).
5. D. Umamaheswari, B. C. Jamalaiah, T. Sasikala, T. Chengaiah, I. Kim, L. R. Moorthy, J. Lumin., 132, 1166–1170 (2012).
6. J. Dahiya, A. Hooda, A. Agarwal, S. Khasa, Opt. Mater., 134, 113162 (2022).
7. H. Al-Ghamdi, N. A. M. Alsaif, F. Afaneh, A. M. El-Refaey, R. A. Elsad, M. S. Shams, A. S. Abouhaswa, Y. S. Rammah, S. M. Shaaban, Z. Y. Khattari, J. Electron. Mater., 52, 7931–7942 (2023).
8. G. Almisned, Z. Y. Khattari, D. S. Baykal, G. Susoy, G. Kilic, A. Ene, H. O. Tekin, J. Mater. Res. Technol., 27, 7582–7592 (2023).
9. P. G. Prakash, J. L. Rao, J. Mater. Sci., 39, 193–200 (2004). 696-6701
10. B. Srinivas, A. Hameed, G. Ramadevudu, M. N. Chary, M. Shareefuddin, J. Phys. Chem. Solids, 129, 22–30 (2019).
11. C. C. Ding, S. Y. Wu, L. N. Wu, L. J. Zhang, L. Peng, M. H. Wu, B. H. Teng, J. Phys. Chem. Solids, 113, 102–107 (2018).
12. H. M. Zhang, J. H. Duan, W. B. Xiao, X. Wan, J. Non-Cryst. Solids, 425, 173–175 (2015).
13. B. Kalyani, N. Pujari, A. Edukondalu, P. Krishna, J. C. Babu, C. P. Vardhani, J. Aust. Ceram. Soc., 56, 1147–1154 (2020).
14. B. Narsimha, K. C. Sekhar, M. Shareefuddin, R. Gokarakonda, Mater. Today: Proc., 92, 1154–1161 (2023).
15. H. M. Zhang, W. B. Xiao, J. Alloy. Compd., 745, 586–591 (2018).
16. T. Satyanarayana, C. S. K. A. Hameed, G. Sangeetha, S. Md, ECS J. Solid State Sci., 13, 063006 (2024).
17. L. Liu, Z. Z. Yang, J. Fu, Z. T. Wan, Magn. Res. Chem., 61, 40–48 (2023).
18. X. H. Huang, M. Y. Zhang, F. F. Guo, H. D. Cai, X. L. Zhou, C. D. Feng, Magn. Res. Chem., 62, 732–739 (2024).
19. J. S. Krishna, D. S. Raju, V. V. Krishna, C. L. Raju, J. Phys.: Conf. Ser., 1913, 012013 (2021).
20. K. Biramally, N. Pujari, S. Karidas, M. D. Shareefuddin, D. V. Sreenivasu, C. P. Vardhani, AIP Conf. Proc, 2104, 010001 (2019).
21. D. J. Newman, B. Ng, Rep. Prog. Phys., 52, 699–762 (1989).
22. J. R. Jin, S. Y. Wu, J. Hong, S. N. Liu, M. X. Song, B. H. Teng, M. H. Wu, Philos. Mag, 97, 2858–2870 (2017).
23. J. Z. Lin, B. F. Zhang, P. Xiao, Y. Zhao, Y. F. Zhang, Glass Phys. Chem, 46, 389–395 (2020).
24. Y. D. Li, B. J. Chen, H. M. Zhang, C. D. Feng, J. Lumin., 234, 117973 (2021).
25. S. Y. Wu, Y. X. Hu, X. F. Wang, C. J. Fu, Rad. Eff. Defect S, 165, 298–304 (2010).
26. Y. Mei, W. C. Zheng, L. Zhang, Opt. Mater., 36, 535–538 (2013).
27. X. X. Wu, W. C. Zheng, Acta Phys. Pol. A, 127, 795–798 (2015).
28. E. Clementi, D. L. Raimondi, W. P. Reinhardt, J. Chem. Phys., 47, N 4, 1300–1307 (1967).
29. E. Clementi, D. L. Raimondi, J. Chem. Phys., 38, N 11, 2686–2689 (1963).
30. K. Karlsson, Scr. Mater., 3, 201–205 (1973).
31. C. K. Jørgensen, Absorption Spectra and Chemical Bonding in Complexes, Pergamon, 85–106 (1962).
32. Y. Q. Xu, S. Y. Wu, L. J. Zhang, C. C. Ding, Optik, 127, 9167–9171 (2016).
33. M. Q. Kuang, L. D. Wang, S. K. Duan, J. Phys. Chem. Solids, 111, 41–46 (2017).
Review
For citations:
Lin J., Zhang B., You H., Xin H., Zhao X. Investigation of the Local Structure and Electron Paramagnetic Resonance Parameters of Tetragonal Cu2+ Centers in Sodium Fluoride-Sodium Borate Glasses. Zhurnal Prikladnoii Spektroskopii. 2025;92(5):696.
Views:
37
Email this article 