Arseam

International Journal of Education & Applied Sciences Research

Modeling of Cr3+ in Li+-Ion-Doped K2ZnF4 Crystals

Maroj Bharati, Vikram Singh, Ram Kripal

1 Designation & Department: Mrs., Department of Physics Institution with full address (City, State, Country, Postal code): Nehru Gram Bharti (DU), Jamunipur, Prayagraj, 221505, Uttar Pradesh, India ORCID: 0009-0007-8219-0993

2 Designation & Department: Dr., Department of Physics Institution with full address (City, State, Country, Postal code): Nehru Gram Bharti (DU), Jamunipur, Prayagraj, 221505 Uttar Pradesh, India ORCID: 0000-0003-3813-586X

3 Designation & Department: Prof., Department of Physics Institution with full address (City, State, Country, Postal code): University of Allahabad, Prayagraj-211002, Uttar Pradesh, India ORCID: 0000-0002-3483-8704

DOI : https://doi.org/10.53882/IJEASR.2024.1101006 Page No : 79-95

Published Online : 2024-06-30

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Aim of the study: The study is carried out to determine the Cr3+ crystal field and zero field splitting parameters in K2ZnF4 crystals infused with Li+ ions to locate the Cr3+ ion and the K2ZnF4 crystal's distortion. Design/Methodology: By using superposition model and suitable Cr3+ ion sites in K2ZnF4 with distortion the splitting parameters of the zero field and the crystal field are found. The crystal field energy bands for Cr3+ in K2ZnF4 are calculated using the Crystal Field Analysis Program and crystal field parameters. By diagonalizing the entire Hamiltonian in intermediate crystal field, the locations of the energy bands of the Cr3+ ion are established. The Hamiltonian is made up of the Coulomb interaction, the crystal field Hamiltonian, the Trees correction, the spin-orbit interaction, the spin-spin interaction, and the spin-other-orbit interaction. Findings: The splitting parameters for the zero field in theory and experiment agree well when taking into account local distortion in the calculation. A fair degree of agreement is found between the band positions found in the experiment and those calculated. The findings suggest that in K2ZnF4 single crystals, Cr3+ ions replace Zn2+ at octahedral sites. Practical Implications: The study intimates that the methodology may be applied to a number of different ion-host systems to investigate crystals with commercial and scientific uses. Originality value: The study gives a stout contribution to the literature on zero field and crystal field splitting parameters of intoxicated crystals.

Keywords: Crystal field; Cr3+ ions in K2ZnF4; Optical spectroscopy; Superposition model; Zero-field splitting.

Paper type: Research paper

REFERENCES

Açıkgöz, M. (2015), A comprehensive local structure analysis of Cr3+ centers in K2ZnF4
crystals: A semi-empirical approach, Chem. Phys., 455(1): 48-56. DOI: https://doi.org/10.1016/j.chemphys.2015.04.006
Acikgoz, M., Kripal R., Misra, M.G., Yadav, A. K., Gnutek, P., Rudowicz, C. (2023), Theoretical analysis of crystal field parameters and zero field splitting parameters for Mn2+ ions in tetramethylammonium tetrachlorozincate, Polyhedron 235:116341. DOI: https://doi.org/10.1016/j.poly.2023.116341
Adachi, S. (2019), Photoluminescence Spectroscopy and Crystal-Field Parameters of
Cr3+ Ion in Red and Deep Red-Emitting Phosphors, ECS J. Solid State Sci. Tech., 8 (12): R164-R168.DOI https://doi.org/10.1149/2.0061912jss
Adachi, S. (2021), Review—Photoluminescence Properties of Cr3+-Activated Oxide
Phosphors, ECS J. Solid State Sci. Tech., 10(2): 026001(21 pages).DOI: https://doi.org/10.1149/2162-8777/abdc01
Alizadeh, Y., Martin, J. L.B., Reid, M. F., Wells, J. P. R.(2021), Intra- and inter-configurational electronic transitions of Ce3+-doped Y2SiO5: Spectroscopy and crystal field analysis, Opt. Mat. 117: 111114. DOI: https://doi.org/10.1016/j.optmat.2021.111114
Balz, V. D., Plieth, K. (1955), Die Struktur des Kaliumnickelfluorids K2NiF4, Z. fur Elektrochemie 59(6): 545-551. DOI: https://doi.org/10.1002/bbpc.19550590613
Bharati, M., Singh, V., Kripal, R. (2023), Zero Field Splitting Parameter of Mn2+ in PMN Single Crystals, Int. J. of Eng. Tech. Res. Man. (IJETRM), 7(3):43-52.
Bharati, M., Singh, V., Kripal, R. (2023), Modeling of Mn2+ doped CdGa2Se4 single crystals, Int. J. Eng. Inv. (IJEI), 12(3):170-175.Retrieved From: https://www.ijeijournal.com/papers/Vol12-Issue3/1203170175.pdf
Bharati, M., Singh, V., Kripal, R. (2024), Modeling of Cr3+ doped Cassiterite (SnO2) Single Crystals, IgMin Res., 2(6):484-489.DOI: https://doi.org/10.61927/igmin207
Boca, R., Rajnak, C., Titis, J. (2023), Zero-Field Splitting in Hexacoordinate Co(II) Complexes, Magnetochem. 9(4): 100(31 pages). DOI: https://doi.org/10.3390/magnetochemistry9040100
Brik, M. G., Avram, N. M. (Eds.). Optical Properties of 3d-Ions in Crystals:
Spectroscopy and Crystal Field Analysis. Heidelberg: Springer, 2013; Y. Y. Yeung: Chapter 3, pp. 95-121.
Cantero-Lo´pez, . P., Hidalgo-Rosa, Y., Sandoval-Olivares, Z., Santoyo-Flores, J., Mella, P., Arrue´, L., Zu´n˜ iga, C.,Arratia-Pe´rez, R., Pa´ez-Herna´ndez, D. (2021), The role of zero-field splitting and p-stacking interaction of different nitrogen-donor ligands on the optical properties of luminescent rhenium tricarbonyl complexes, New J. Chem. 45(25): 11192-11201. DOI: https://doi.org/10.1039/D1NJ01544C
Chai, R. P., Hao, D. H., Liang, L., Li, L., Gao, D. L., Zhang, C. L. (2021),The influence of local structure and intrinsic crystal-field on the EPR parameters for Nd3+ ions in Bi4Ge3O12 crystal, Comp. Theo. Chem. 1198: 113181. DOI: https://doi.org/10.1016/j.comptc.2021.113181
Chen, Z., Yu, S., Wang, R., Li, B., Yin, B., Liu, D., Liang, Y., Yaoa, D. and Liang, F. (2019), Three Dy(III) single-ion magnets bearing tropolone ligand: structure, magnetic property and theoretical elucidation, Dalton Trans. 48(19):6627-6637. DOI:
https://doi.org/10.1039/C9DT00364A
Chen, F., Zhou, Z., Zhang, J. and Feng, C. (2024), Investigations on the EPR parameters and local structures for the substitutional Ti3+ and W5+ centers in stishovite, Zeits. Naturforsch. A79(5): 441-448. DOI: https://doi.org/10.1515/zna-2023-0320
Guo, R., Huang, D., Lu, D., Liang, F., Zhang, Q., Yu, H. and Zhang, H. (2022), Investigation of crystal field effects for the spectral broadening of Yb3+-doped LuxY2−xO3 sesquioxide crystals, RSC Adv. 12(35): 22555-22563. DOI: https://doi.org/10.1039/D2RA03639H
Halder, D., Jana, Y., Piwowarska, D., Gnutek, P., Rudowicz, C.(2024), Tailoring single-ion magnet properties of coordination polymer C11H18DyN3O9 (Dy-CP) using the radial effective charge model (RECM) and superposition model (SPM), Phys. Chem. Chem. Phys.26(29): 19947-19959. DOI: https://doi.org/10.1039/D4CP01861C
Huang, G. Z., Ruan, Z .Y., Zheng, J.Y., Chen, Y.C., Wu, S.G., Liu, J. L. & Tong, L. (2020), Seeking magneto-structural correlations in easily tailored pentagonal bipyramid Dy(III) single-ion magnets, Sci. China Chem., 63(8):1066-1074. DOI: https://doi.org/10.1007/s11426-020-9746-x
Kripal, R. (2022), Theoretical Investigation of Zero field splitting parameter of Fe3+ in CsCdF3, IJIRSES 2(10): 9-13. Retrieved From: http://ijirses.com/wp-content/uploads/2022/10/IJIRSES-021007.pdf
Kripal, R., Tripathi, U. M. (2022), Superposition Model Investigation of Mn2+ doped Ni[C4H3O4]2.6H2O Crystal, Int. J. Res. Eng. Sci. (IJRES), 10(3):72-76. Retrieved From: https://link.springer.com/article/10.1007/s10854-018-9328-1
Kripal, R. (2023), Zero Field Splitting Parameter of Mn2+-Doped
Tl2Cd2(SO4)3 Single Crystals at Axial Symmetry Site, Acta Phys. Polon. A 143(3): 217-220.
DOI: http://doi.org/10.12693/APhysPolA.143.217
Kripal, R., Shukla, L. C. (2021), Superposition model analysis for Cr3+ ions at orthorhombic sites in Sr3Ga2Ge4O14, Int. J. Sci. Res. Phys. Appl. Sci. (IJSRPAS), 9(6): 44-48.
Kripal, R., Shukla, L. C. (2021), Zero Field Splitting Study of Cr3+ Doped Nickel Maleate Tetrahydrate, Int. J. Sci. Dev. Res. (IJSDR),6: 99-100. IJSDR2111021
Li, J., Sun, J., Wang, Y. and Wang, X. (2024), Prediction of metastable energy level distribution of D3+ (D = Cr and Fe) doped phosphors based on machine learning, J. Mater. Chem. C 12: 10889-10902. DOI: https://doi.org/10.1039/D4TC02168A
Marcinkowski, D., Adamski, A., Kubicki, M., Consiglio, G., Patroniak, V., Ślusarski, T., Açıkgöz, M., Szeliga, D., Vadra, N., Karbowiak, M., Stefaniuk, I., Rudowicz, C., Gorczyński, A., Korabik, M.(2022), Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(II) complexes, Dalton Trans. 51:12041-12055. DOI: https://doi.org/10.1039/D2DT01564A
Mortier, M., Wang, Q., Buzare, J. Y., Rousseau, M., Piriou, B. (1997), Optical studies of Cr3+ in KMgF3: Time-resolved site-selective spectroscopy and experimental evidence of spin-orbit coupling, Phys. Rev. B, 56(6): 3022-3031. DOI: https://doi.org/10.1103/PhysRevB.56.3022
Mulak, M. and Mulak, J. (2021), Single-State Crystal Field Parametrization in the Cubic Symmetry Systems, Phys. Stat. Sol. B 258(7): 2100057(8 pages). DOI: https://doi.org/10.1002/pssb.202100057
Mulak, M., Mulak, J. (2022), Inadequacy of the Fitted Crystal-Field Parameterizations. Case Study: The Fourth-Order Crystal-Field Splitting Moment in Cubic Systems, Phys. Stat. Sol. B259(6): 2200005. DOI: https://doi.org/10.1002/pssb.202200005
Nikitin, S. I., Kutashova, E. M., Yusupov, R.V., Karimov, R. I., Kiiamov, A. G. (2024),Laser spectroscopy and crystal field analysis of energy level structure of Tm3+ ions in SrY2O4 crystal
J. Lumin. 272(8):120616. DOI: https://doi.org/10.1016/j.jlumin.2024.120616
Oliveira, J. L., Sousa, M. F., Santos, R. D.S., Otsuka, A. M., C. dos Santos, M. A., Rezende, M. V. dos S. (2021), Atomistic simulation and spectroscopy study of the Eu-doped NaCdPO4 compound, Opt. Mat. 113:110821. DOI: https://doi.org/10.1016/j.optmat.2021.110821
Pandey, S., Kripal, R., Yadav, A. K., Açıkg¨oz, M., Gnutek, P., Rudowicz, C. (2021),
Implications of direct conversions of crystal field parameters into zero-field splitting ones - Case study: Superposition model analysis for Cr3+ ions at orthorhombic sites in LiKSO4, J. Lumin. , 230: 117548 (10 pages). DOI:
https://doi.org/10.1016/j.jlumin.2020.117548
Rathee, S. P., Hooda, S. S. (2024), EPR and superposition-model analysis of zero-field splitting parameters for Mn2+ doped in ZnNbOF5.6(H2O) and CoNbOF5.6(H2O) single crystals, Indian J Phys . DOI: https://doi.org/10.1007/s12648-024-03268-3
Rudowicz, C., Gnutek, P., Açıkgöz, M. (2019), Superposition model in electron magnetic resonance spectroscopy – a primer for experimentalists with illustrative applications and literature database, Appl. Spectroscopy Rev. 54:673-718. DOI: https://doi.org/10.1080/05704928.2018.1494601
Sousa, M. F., Oliveira, J. L., Santos, R. D. S., Otsuka, A. M. , Couto dos Santos, M. A., Lima, H. , Rezende, M. V.dos S. (2021), Defect and spectroscopy properties of Eu-doped LiMgPO4 phosphors, Opt. Mat. Part A 122:111756. DOI: https://doi.org/10.1016/j.optmat.2021.111756
Takeuchi, H., Arakawa, M., Aoki, H., Yosida, T., Horai, K.( 1982), EPR and 19F-ENDOR of Cr3+ Impurity centres in K2ZnF4 and K2MgF4, J. Phys. Soc. Jpn., 51: 3166-3172. DOI: https://doi.org/10.1143/JPSJ.51.3166
Takeuchi, H., Arakawa, M. (1983), EPR of Cr3+ Centres in K2ZnF4 Crystals Doped with Na+ and Li+ Ions, J. Phys. Soc. Jpn. 52: 279-283. DOI: https://doi.org/10.1143/JPSJ.52.279
Wang, J.-H., Li, Z.-Y., Yamashita, M., Bu, X.-H. (2021), Recent progress on cyano-bridged transition-metal-based single-molecule magnets and single-chain magnets, Coord. Chem. Rev. 428: 213617 (21 pages). DOI: https://doi.org/10.1016/j.ccr.2020.213617
Yadav, A. K., Tripathi, U. M., Kripal, R. (2022), Theoretical Calculation of Zero‑Field Splitting Parameters for Mn2+ in Potassium Hydrogen Sulphate, Appl. Magn. Reson. 53:941–947. DOI: https://doi.org/10.1007/s00723-022-01475-x
Yamaga, M., Singh, A. K., Cameron, D., Edwards, P. R., Boćkowski, M. (2024), Crystal-field analysis of photoluminescence from orthorhombic Eu centers and energy transfer from host to Eu in GaN co-doped with Mg and Eu, J. Lumin. 270(6):120557. https://doi.org/10.1016/j.jlumin.2024.120557
Yang, K., Sun, R., Zhao, J., Deng, C., Wang, B., Gao, S., and Huang, W. (2023), A Combined Synthetic, Magnetic, and Theoretical Study on Enhancing Ligand-Field Axiality for Dy(III) Single-Molecule Magnets Supported by Ferrocene Diamide Ligands, Inorg. Chem. 62(25): 9892-9903. DOI: https://pubs.acs.org/doi/10.1021/acs.inorgchem.3c00896
Yeung, Y. Y., Rudowicz, C. (1993), Crystal Field Energy Levels and State Vectors for the 3dN Ions at Orthorhombic or Higher Symmetry Sites, J. Comput. Phys., 109(1):150-152. DOI: https://doi.org/10.1006/jcph.1993.1206
Zhang, S., Tang, J., Li, L., Yao, L., Zhang, R., and Yin, B. (2022), Theoretical and Experimental Studies of the Magnetostructural Correlations in Mononuclear DyIII Compounds Evidenced by Quantum Tunneling of Magnetization Time, Crystal Field Parameters, and Point Charge Electrostatic Model, Cryst. Growth & Design 22(9): 5459-5471. DOI: https://pubs.acs.org/doi/10.1021/acs.cgd.2c00550

Cite this Article as: Ram K. & M. Bharti & Vikram S. (2024), “Modeling of Cr3+ in Li+-Ion-Doped K2ZnF4 Crystals”, International Journal of Education & Applied Sciences Research, Volume 11, Issue 1, 2024, pp 79-95. DOI : https://doi.org/10.53882/IJEASR.2024.1101006

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REFERENCES

Açıkgöz, M. (2015), A comprehensive local structure analysis of Cr3+ centers in K2ZnF4
crystals: A semi-empirical approach, Chem. Phys., 455(1): 48-56. DOI: https://doi.org/10.1016/j.chemphys.2015.04.006
Acikgoz, M., Kripal R., Misra, M.G., Yadav, A. K., Gnutek, P., Rudowicz, C. (2023), Theoretical analysis of crystal field parameters and zero field splitting parameters for Mn2+ ions in tetramethylammonium tetrachlorozincate, Polyhedron 235:116341. DOI: https://doi.org/10.1016/j.poly.2023.116341
Adachi, S. (2019), Photoluminescence Spectroscopy and Crystal-Field Parameters of
Cr3+ Ion in Red and Deep Red-Emitting Phosphors, ECS J. Solid State Sci. Tech., 8 (12): R164-R168.DOI https://doi.org/10.1149/2.0061912jss
Adachi, S. (2021), Review—Photoluminescence Properties of Cr3+-Activated Oxide
Phosphors, ECS J. Solid State Sci. Tech., 10(2): 026001(21 pages).DOI: https://doi.org/10.1149/2162-8777/abdc01
Alizadeh, Y., Martin, J. L.B., Reid, M. F., Wells, J. P. R.(2021), Intra- and inter-configurational electronic transitions of Ce3+-doped Y2SiO5: Spectroscopy and crystal field analysis, Opt. Mat. 117: 111114. DOI: https://doi.org/10.1016/j.optmat.2021.111114
Balz, V. D., Plieth, K. (1955), Die Struktur des Kaliumnickelfluorids K2NiF4, Z. fur Elektrochemie 59(6): 545-551. DOI: https://doi.org/10.1002/bbpc.19550590613
Bharati, M., Singh, V., Kripal, R. (2023), Zero Field Splitting Parameter of Mn2+ in PMN Single Crystals, Int. J. of Eng. Tech. Res. Man. (IJETRM), 7(3):43-52.
Bharati, M., Singh, V., Kripal, R. (2023), Modeling of Mn2+ doped CdGa2Se4 single crystals, Int. J. Eng. Inv. (IJEI), 12(3):170-175.Retrieved From: https://www.ijeijournal.com/papers/Vol12-Issue3/1203170175.pdf
Bharati, M., Singh, V., Kripal, R. (2024), Modeling of Cr3+ doped Cassiterite (SnO2) Single Crystals, IgMin Res., 2(6):484-489.DOI: https://doi.org/10.61927/igmin207
Boca, R., Rajnak, C., Titis, J. (2023), Zero-Field Splitting in Hexacoordinate Co(II) Complexes, Magnetochem. 9(4): 100(31 pages). DOI: https://doi.org/10.3390/magnetochemistry9040100
Brik, M. G., Avram, N. M. (Eds.). Optical Properties of 3d-Ions in Crystals:
Spectroscopy and Crystal Field Analysis. Heidelberg: Springer, 2013; Y. Y. Yeung: Chapter 3, pp. 95-121.
Cantero-Lo´pez, . P., Hidalgo-Rosa, Y., Sandoval-Olivares, Z., Santoyo-Flores, J., Mella, P., Arrue´, L., Zu´n˜ iga, C.,Arratia-Pe´rez, R., Pa´ez-Herna´ndez, D. (2021), The role of zero-field splitting and p-stacking interaction of different nitrogen-donor ligands on the optical properties of luminescent rhenium tricarbonyl complexes, New J. Chem. 45(25): 11192-11201. DOI: https://doi.org/10.1039/D1NJ01544C
Chai, R. P., Hao, D. H., Liang, L., Li, L., Gao, D. L., Zhang, C. L. (2021),The influence of local structure and intrinsic crystal-field on the EPR parameters for Nd3+ ions in Bi4Ge3O12 crystal, Comp. Theo. Chem. 1198: 113181. DOI: https://doi.org/10.1016/j.comptc.2021.113181
Chen, Z., Yu, S., Wang, R., Li, B., Yin, B., Liu, D., Liang, Y., Yaoa, D. and Liang, F. (2019), Three Dy(III) single-ion magnets bearing tropolone ligand: structure, magnetic property and theoretical elucidation, Dalton Trans. 48(19):6627-6637. DOI:
https://doi.org/10.1039/C9DT00364A
Chen, F., Zhou, Z., Zhang, J. and Feng, C. (2024), Investigations on the EPR parameters and local structures for the substitutional Ti3+ and W5+ centers in stishovite, Zeits. Naturforsch. A79(5): 441-448. DOI: https://doi.org/10.1515/zna-2023-0320
Guo, R., Huang, D., Lu, D., Liang, F., Zhang, Q., Yu, H. and Zhang, H. (2022), Investigation of crystal field effects for the spectral broadening of Yb3+-doped LuxY2−xO3 sesquioxide crystals, RSC Adv. 12(35): 22555-22563. DOI: https://doi.org/10.1039/D2RA03639H
Halder, D., Jana, Y., Piwowarska, D., Gnutek, P., Rudowicz, C.(2024), Tailoring single-ion magnet properties of coordination polymer C11H18DyN3O9 (Dy-CP) using the radial effective charge model (RECM) and superposition model (SPM), Phys. Chem. Chem. Phys.26(29): 19947-19959. DOI: https://doi.org/10.1039/D4CP01861C
Huang, G. Z., Ruan, Z .Y., Zheng, J.Y., Chen, Y.C., Wu, S.G., Liu, J. L. & Tong, L. (2020), Seeking magneto-structural correlations in easily tailored pentagonal bipyramid Dy(III) single-ion magnets, Sci. China Chem., 63(8):1066-1074. DOI: https://doi.org/10.1007/s11426-020-9746-x
Kripal, R. (2022), Theoretical Investigation of Zero field splitting parameter of Fe3+ in CsCdF3, IJIRSES 2(10): 9-13. Retrieved From: http://ijirses.com/wp-content/uploads/2022/10/IJIRSES-021007.pdf
Kripal, R., Tripathi, U. M. (2022), Superposition Model Investigation of Mn2+ doped Ni[C4H3O4]2.6H2O Crystal, Int. J. Res. Eng. Sci. (IJRES), 10(3):72-76. Retrieved From: https://link.springer.com/article/10.1007/s10854-018-9328-1
Kripal, R. (2023), Zero Field Splitting Parameter of Mn2+-Doped
Tl2Cd2(SO4)3 Single Crystals at Axial Symmetry Site, Acta Phys. Polon. A 143(3): 217-220.
DOI: http://doi.org/10.12693/APhysPolA.143.217
Kripal, R., Shukla, L. C. (2021), Superposition model analysis for Cr3+ ions at orthorhombic sites in Sr3Ga2Ge4O14, Int. J. Sci. Res. Phys. Appl. Sci. (IJSRPAS), 9(6): 44-48.
Kripal, R., Shukla, L. C. (2021), Zero Field Splitting Study of Cr3+ Doped Nickel Maleate Tetrahydrate, Int. J. Sci. Dev. Res. (IJSDR),6: 99-100. IJSDR2111021
Li, J., Sun, J., Wang, Y. and Wang, X. (2024), Prediction of metastable energy level distribution of D3+ (D = Cr and Fe) doped phosphors based on machine learning, J. Mater. Chem. C 12: 10889-10902. DOI: https://doi.org/10.1039/D4TC02168A
Marcinkowski, D., Adamski, A., Kubicki, M., Consiglio, G., Patroniak, V., Ślusarski, T., Açıkgöz, M., Szeliga, D., Vadra, N., Karbowiak, M., Stefaniuk, I., Rudowicz, C., Gorczyński, A., Korabik, M.(2022), Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(II) complexes, Dalton Trans. 51:12041-12055. DOI: https://doi.org/10.1039/D2DT01564A
Mortier, M., Wang, Q., Buzare, J. Y., Rousseau, M., Piriou, B. (1997), Optical studies of Cr3+ in KMgF3: Time-resolved site-selective spectroscopy and experimental evidence of spin-orbit coupling, Phys. Rev. B, 56(6): 3022-3031. DOI: https://doi.org/10.1103/PhysRevB.56.3022
Mulak, M. and Mulak, J. (2021), Single-State Crystal Field Parametrization in the Cubic Symmetry Systems, Phys. Stat. Sol. B 258(7): 2100057(8 pages). DOI: https://doi.org/10.1002/pssb.202100057
Mulak, M., Mulak, J. (2022), Inadequacy of the Fitted Crystal-Field Parameterizations. Case Study: The Fourth-Order Crystal-Field Splitting Moment in Cubic Systems, Phys. Stat. Sol. B259(6): 2200005. DOI: https://doi.org/10.1002/pssb.202200005
Nikitin, S. I., Kutashova, E. M., Yusupov, R.V., Karimov, R. I., Kiiamov, A. G. (2024),Laser spectroscopy and crystal field analysis of energy level structure of Tm3+ ions in SrY2O4 crystal
J. Lumin. 272(8):120616. DOI: https://doi.org/10.1016/j.jlumin.2024.120616
Oliveira, J. L., Sousa, M. F., Santos, R. D.S., Otsuka, A. M., C. dos Santos, M. A., Rezende, M. V. dos S. (2021), Atomistic simulation and spectroscopy study of the Eu-doped NaCdPO4 compound, Opt. Mat. 113:110821. DOI: https://doi.org/10.1016/j.optmat.2021.110821
Pandey, S., Kripal, R., Yadav, A. K., Açıkg¨oz, M., Gnutek, P., Rudowicz, C. (2021),
Implications of direct conversions of crystal field parameters into zero-field splitting ones - Case study: Superposition model analysis for Cr3+ ions at orthorhombic sites in LiKSO4, J. Lumin. , 230: 117548 (10 pages). DOI:
https://doi.org/10.1016/j.jlumin.2020.117548
Rathee, S. P., Hooda, S. S. (2024), EPR and superposition-model analysis of zero-field splitting parameters for Mn2+ doped in ZnNbOF5.6(H2O) and CoNbOF5.6(H2O) single crystals, Indian J Phys . DOI: https://doi.org/10.1007/s12648-024-03268-3
Rudowicz, C., Gnutek, P., Açıkgöz, M. (2019), Superposition model in electron magnetic resonance spectroscopy – a primer for experimentalists with illustrative applications and literature database, Appl. Spectroscopy Rev. 54:673-718. DOI: https://doi.org/10.1080/05704928.2018.1494601
Sousa, M. F., Oliveira, J. L., Santos, R. D. S., Otsuka, A. M. , Couto dos Santos, M. A., Lima, H. , Rezende, M. V.dos S. (2021), Defect and spectroscopy properties of Eu-doped LiMgPO4 phosphors, Opt. Mat. Part A 122:111756. DOI: https://doi.org/10.1016/j.optmat.2021.111756
Takeuchi, H., Arakawa, M., Aoki, H., Yosida, T., Horai, K.( 1982), EPR and 19F-ENDOR of Cr3+ Impurity centres in K2ZnF4 and K2MgF4, J. Phys. Soc. Jpn., 51: 3166-3172. DOI: https://doi.org/10.1143/JPSJ.51.3166
Takeuchi, H., Arakawa, M. (1983), EPR of Cr3+ Centres in K2ZnF4 Crystals Doped with Na+ and Li+ Ions, J. Phys. Soc. Jpn. 52: 279-283. DOI: https://doi.org/10.1143/JPSJ.52.279
Wang, J.-H., Li, Z.-Y., Yamashita, M., Bu, X.-H. (2021), Recent progress on cyano-bridged transition-metal-based single-molecule magnets and single-chain magnets, Coord. Chem. Rev. 428: 213617 (21 pages). DOI: https://doi.org/10.1016/j.ccr.2020.213617
Yadav, A. K., Tripathi, U. M., Kripal, R. (2022), Theoretical Calculation of Zero‑Field Splitting Parameters for Mn2+ in Potassium Hydrogen Sulphate, Appl. Magn. Reson. 53:941–947. DOI: https://doi.org/10.1007/s00723-022-01475-x
Yamaga, M., Singh, A. K., Cameron, D., Edwards, P. R., Boćkowski, M. (2024), Crystal-field analysis of photoluminescence from orthorhombic Eu centers and energy transfer from host to Eu in GaN co-doped with Mg and Eu, J. Lumin. 270(6):120557. https://doi.org/10.1016/j.jlumin.2024.120557
Yang, K., Sun, R., Zhao, J., Deng, C., Wang, B., Gao, S., and Huang, W. (2023), A Combined Synthetic, Magnetic, and Theoretical Study on Enhancing Ligand-Field Axiality for Dy(III) Single-Molecule Magnets Supported by Ferrocene Diamide Ligands, Inorg. Chem. 62(25): 9892-9903. DOI: https://pubs.acs.org/doi/10.1021/acs.inorgchem.3c00896
Yeung, Y. Y., Rudowicz, C. (1993), Crystal Field Energy Levels and State Vectors for the 3dN Ions at Orthorhombic or Higher Symmetry Sites, J. Comput. Phys., 109(1):150-152. DOI: https://doi.org/10.1006/jcph.1993.1206
Zhang, S., Tang, J., Li, L., Yao, L., Zhang, R., and Yin, B. (2022), Theoretical and Experimental Studies of the Magnetostructural Correlations in Mononuclear DyIII Compounds Evidenced by Quantum Tunneling of Magnetization Time, Crystal Field Parameters, and Point Charge Electrostatic Model, Cryst. Growth & Design 22(9): 5459-5471. DOI: https://pubs.acs.org/doi/10.1021/acs.cgd.2c00550

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