- PII
- S0023119325020021-1
- DOI
- 10.31857/S0023119325020021
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 59 / Issue number 2
- Pages
- 83-88
- Abstract
- A quantum-chemical study of the vibrational and electronic characteristics of the nanocrystalline component of luminescent optical glass-ceramics based on alumina-ittrium garnet doped with Er and Ce ions, which find application in the fabrication of optical integrated circuits, in the technique of solid-state lasers and illumination sources, has been performed. In this work, models of different stoichiometric composition of Er/Ce: YAlO have been calculated by the DFT/uB3PW91/SDD method. The IR spectra were calculated and the absorption bands of the calculated wave numbers were correlated with the measured ones. The electronic spectrum was modeled by the DFT method with B3PW91 and WB97xd functionals, the energies of levels were determined and the forbidden band width was calculated.
- Keywords
- электронные спектры алюмоиттриевый гранат люминесцентная керамика ионы Er и Ce ИК и КР-спектры электронный спектр DFT моделирование
- Date of publication
- 21.11.2024
- Year of publication
- 2024
- Number of purchasers
- 0
- Views
- 21
References
- 1. Осипов В.В., Шитов В.А., Максимов Р.Н., Соломонов В.И., Лукьяшин К.Е., Орлов А.Н. // Фотоника. 2018. Т. 12. № 3. С. 318-334.
- 2. Ikesue A., Aung Y.L., Taira T., Kamimura T., Yoshida K., Messing. G.L. // Annu. Rev. Mater. Res. 2006. V. 36. P. 397.
- 3. Jelinek M., Oswald J., Studnicka V., Lancok J., Pavelka M., Chvostova D. et al. // Photonics, Devices, and Systems. 2003. V. 5036. P. 268-274.
- 4. Pan Y., Wu M., Su Q. // Journal of Physics and Chemistry of Solids. 2003. V. 65. Iss. 5. P. 845-850.
- 5. Thomas J. // Luminescence, From Theory to Applications. 2007. P. 179-190.
- 6. Baur J. // Adv. Solid State Phys. 1998. V 37. P. 67.
- 7. Koechner W. // Solid-State Laser Engineering, 6 ed. 2006. P. 73-75.
- 8. Raukas M. // ECS J. Solid State Sci. Technol. 2013. V. 2. Iss. 2. P. 3168-3176.
- 9. Nishiura Sh., Setsuhisa T., Fujioka K. // Proc. of SPIE. 2011. V. 7934. P. 1-4.
- 10. Nishiura S., Tanabe Y., Fujioka K. // Optical Materials. 2011. V. 33. Р. 688-691.
- 11. Nishiura S., Tanabe Y., Fujioka K. // IOP Conf. Series: Materials Science and Engineering. 2009. V. 1. Р. 1-5.
- 12. Fyodorov A.A., Pavlenco V.V., Korzhik M.V. // Radiation Measurements. 1996. V. 26. № 2. Р. 215.
- 13. Kobayoshi M., Shinkawa T., Sato T. et. al. YAlO3 // Nucl. Instrum. Meth. Phys. Res. 1994. V. 337. Р. 355.
- 14. Yao Q., Zhang L., Zhang J. et al. // Ceramics International. 2019. V. 45. Iss. 5. P. 6356-6362.
- 15. Лукьяшин К.Е., Шитов В.А., Медведев А.И., Ищенко А.В., Шевелев В.С., Шульгин Б.В. // Вестник Концерна ВКО «Алмаз-Антей». 2019. № 1. C. 74-84.
- 16. Balabanov S.S., Gavrishchuk E.M., Drobotenko V.V., Plekhovich A.D., Rostokina E.E. // Inorg. Mater. 2014. V. 50. № 10. P. 1030-1034.
- 17. Kutyin A.M., Rostokina E.Ye., Gavrishchuk E.M., Drobotenko V.V., Plekhovich A.D., Yunin P.A. // Ceram.Int. 2015. V. 41. P. 10616-10623.
- 18. Rostokina E.Ye., Plekhovich А.D., Kut’in А.M., Georgiu I.F., Balabanov S.S., Komshina M.E. // J. Eur. Ceramic Soc. 2021. V. 41. P. 5324-5330.
- 19. Frisch M.J., Trucks G.W., Schlegel H.B. et.al. // Gaussian 03 Gaussian, Inc., Wallingford, CT. 2003.
- 20. Lukowiak A., Wiglusz R.J., Maczka M., Gluchowski P., Strek W. // Chem. Phys. Letters. 2010. V. 494. Iss. 4. P. 279-283.
- 21. Balabanov S.S., Gavrishchuk E.M., Rostokina E.Ye., Plekhovich A.D., Kuryakov V.N., Amarantov S.V. et al. // Ceram.Int. 2016. V. 42. P. 17571-17580; https://doi.org/10.1016/j.ceramint.2016.08.071.
- 22. Basdevant J.L., Rich J., Spiro M. // Fund. Nucl. Phys. Springer, 2005. P. 516.
- 23. Lukyashin K.E., Shitov V.A., Medvedev A.I., Ishchenko A.V., Shevelev V.S., Shulgin B.V., Basyrova L.R. // IOP Conf. Series: Materials Science and Engineering. 2018. V. 347. P. 1-8.
- 24. Соломонов В.И., Осипов В.В., Шитов В.А., Лукьяшин К.Е., Бубнова А.С. // Оптика и спектроскопия. 2020. Т. 128. В. 1. С. 5-9.
- 25. Eugeniusz Z., Brecher C., Glodo J. // Condensed Matter. 2000. V. 12. P. 1947-1958.
- 26. Kumar A., Kumar R., Verma N., Anupama A.V., Choudhary H.K., Balaram B. // Optical materials. 2020. V. 108.
- 27. Jianhui Huang J., Wang B., You W., Zhang L., Sun Y., Tu C. et al. // Spectrochim. Acta Part A: Mol. Biomol Spectroscopy. 2021. V. 258. P. 1386-1425.
