Structural and Photoluminescence Properties of Ca2+-Substituted Self-Activated Photoluminescence Material of Na2TiSiO5
DOI:
https://doi.org/10.5614/j.math.fund.sci.2023.55.2.6Keywords:
CaTiSiO5, photoluminescence, Na2TiSiO5, rare-earth free, self-activatedAbstract
The effects of Ca2+ substitution on the structural and optical properties of Na2TiSiO5 were studied. It was expected that the Ca2+ ions would replace Na+ ions and change the coordination of Ti4+-O2- as a luminescence center. Na2(1?x)CaxTiSiO5 (x = 0.00, 0.50, 1.00) samples were synthesized using the solid-state method, and their structural properties, the local Ti4+-O2- coordination, the absorption spectra, and the photoluminescence properties were studied. The electronic structure of Na2(1-x)CaxTiSiO5 with x = 0.00 and 1.00 was also calculated using the Full Potential Linear Augmented Plane Wave (FP-LAPW) method to explain some of the observed properties. The Ca2+ substitution resulted in a phase transformation from an orthorhombic to a monoclinic structure. The number of TiO6 octahedra increased with the increase of Ca2+ and correlated with the decrease of PL emission intensity of the Na2(1?x)CaxTiSiO5 samples. The Ti-3d bands in the CaTiSiO5 were more dispersive than in the Na2TiSiO5 and were responsible for the PL emission intensity reduction.
References
Saloni, & Khanna, A., Structural and Photoluminescence Properties of YVO4: Re3+ (Re = Sm, Dy, Er, and EU) Phosphors, SSRN Electronic Journal, 34(1), pp. 1-12, 2023.
Mahajan, R. & Prakash, R., A Review Report on Structural and Optical Characterization of Rare Earth/Transition Metal Doped Pyrophosphate Phosphors, Journal of Materials Science: Materials in Electronics, 33(34), pp. 25491-25517, 2022.
Bao, S., Yu, H., Gao, G., Zhu, H., Wang, D., Zhu, P., & Wang, G., Rare-earth Single Atom Based Luminescent Composite Nanomaterials: Tunable Full-color Single Phosphor and Applications in WLEDs, Nano Research, 15(4), pp. 3594-3605, 2022.
Wang, Y., Ding, J., Li, Y., Wu, Q., Long, Q. & Wang, Y., A Novel Self-activated White-light-emitting Phosphor of Na2TiSiO5 with Two Ti Sites of Tio5 and Tio6, RSC Advances, 6(11), pp. 8605-8611, 2016.
Wu, Q., Zhao, Q., He, Z., Chen, W., Huang, Q., Zheng, P., ... & Zhou, J., The Electronic Structure and Tunable Emission of Self-activated White-light-emitting Na2TiSiO5 Phosphor, Journal of Alloys and Compounds, 805, pp. 531-538, 2019.
Zhang, L., Xu, Y., Yin, S. & You, H., Rare-earth-free Mn4+-doped Double Perovskite Structure Phosphor for Near-ultraviolet Excitation of WLED and Plant Cultivation, Journal of Alloys and Compounds, 891, 162042, 2022.
Cao, Z., Dong, S., Shi, S., Wang, J. & Fu, L., Solid State Reaction Preparation of an Efficient Rare-earth Free Deep-red Ca2YNbO6:Mn4+ Phosphor, Journal of Solid State Chemistry, 307, 122840, 2022.
Patnam, H., Hussain, S.K. & Yu, J.S., Rare-earth-free Mn4+ Ions Activated Ba2YSbO6 Phosphors for Solid-State Lighting, Flexible Display, and Anti-Counterfeiting Applications, Ceramics International, 49(2), pp. 2967-2977, 2022.
Das, P.K., Mondal, S.K. & Mandal, N., First-principles Prediction of Exceptional Mechanical and Electronic Behavior of Titanite (CaTiSiO5), Materialia, 15, 100964, 2021.
Du, K., Yin, C.Z., Guo, Y.B., Wang, X.C., Lu, W.Z. & Lei, W., Phase Transition and Permittivity Stability Against the Temperature of Casn1-Xtixgeo5 Ceramics, Journal of the European Ceramic Society, 42(1), pp. 147-153, 2022.
Blaha, P., Schwarz, K., Sorantin, P. & Trickey, S.B., Full-potential, Linearized Augmented Plane Wave Programs for Crystalline Systems, Computer Physics Communications, 59(2), pp. 399-415, 1990.
Perdew, J.P., Burke, K., & Ernzerhof, M., Generalized Gradient Approximation Made Simple, Phys. Rev. Lett., 77(18), 3865, 1997.
Tran, F. & Blaha, P., Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-correlation Potential, Phys. Rev. Lett., 102(22), 226401, 2009.
Gutmann, M.J., Refson, K., Zimmermann, M.V., Swainson, I.P., Dabkowski, A. & Dabkowska, H., Room Temperature Single-crystal Diffuse Scattering and Ab Initio Lattice Dynamics in Catisio5, Journal of Physics Condensed Matter, 25(31), 315402, 2013.
Ziadi, A., Hillebrecht, H., Thiele, G. & Elouadi, B., Crystal Structure of Orthorhombic LT-Na2TiSiO5 and Its Relation to the Tetragonal HT-form, Journal of Solid State Chemistry France, 123(2), pp. 324-330, 1996.
Kopani, M., Jergel, M., Kobayashi, H., Takahashi, M., Brunner, R., Mikula, M., ... & Pincik, E., On Determination of Properties of Ultrathin and Very Thin Silicon Oxide Layers by FTIR and X-ray Reflectivity, Materials Research Society Symposium Proceedings, 1066, pp. 199-204, 2008.
Tarte, P., Cahay, R. & Garcia, A., Infrared Spectrum and Structural Role of Titanium in Synthetic Ti-Garnets, Physics and Chemistry of Minerals, 4(1), pp. 55-63, 1979.
Meng, F., Liu, Y., Wang, L., Chen, D., Zhao, H., Zhen, Y., ... & Qi, T., Vibrational Spectral Analysis of Natisite (Na2TiSiO5) and Its Structure Evolution in Water and Sulfuric Acid Solutions, Materials, 14(9), 2259, 2021.
Peng, G.W., Chen, S.K. & Liu, H.S., Infrared Absorption Spectra and Their Correlation with the Ti-O Bond Length Variations for TiO2 (Rutile), Na-Titanates, and Na-Titanosilicate (Natisite, Na2TiOSiO4), Applied Spectroscopy, 49(11), pp. 1646-1651, 1995.
Cao, R., Jiao, Y., Wang, X., Ouyang, X., Chen, T., Wan, H., ... & Xie, S., Tunable Emission Properties of CaTiSiO5:Ce3+, Mn2+ Phosphor via Efficient Energy Transfer, Journal of Electronic Materials, 49(6), pp. 3869-3876, 2020.
Jabeen Fatima, M.J, Navaneeth, A. & Sindhu, S., Improved Carrier Mobility and Bandgap Tuning of Zinc Doped Bismuth Oxide, RSC Adv., 5(4), pp. 2504-2510, 2015.
