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International Journal of Education & Applied Sciences Research

ZERO FIELD SPLITTING PARAMETERS IN THEORY AND OPTICAL BANDS OF IRON INTOXICATED POTASSIUM TITANIUM PHOSPHATE SINGLE CRYSTAL

*Maroj Bharati, **Vikram Singh, ***Ram Kripal

*Maroj Bharati, Department of Physics, Nehru Gram Bharti (DU), Jamunipur, Prayagraj, India ORCID: https://orcid.org/0009-0007-8219-0993

**Vikram Singh, Department of Physics, Nehru Gram Bharti (DU), Jamunipur, Prayagraj, India ORCID: https://orcid.org/0000-0003-3813-586X

***Ram Kripal, EPR Laboratory, Department of Physics, University of Allahabad, Prayagraj-211002, India ORCID: https://orcid.org/0000-0002-3483-8704

DOI : https://doi.org/10.53882/IJEASR.2023.1001003 Page No : 24-36

Published Online : 2023-06-30

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ABSTRACT

Aim of the study: The study is carried out to determine splitting parameters of zero field and crystal field of iron intoxicated crystal to know the location of Fe3+ ion and the crystal’s distortion.

Design/Methodology: Using the superposition model and perturbation theory, the zero field and crystal field splitting parameters of iron intoxicated potassium titanium phosphate single crystals are found. When accounting for local distortion in the computation, the aforementioned parameters exhibit a respectable level of concordance with the experimental data. With a crystal field analysis program and crystal field parameters, the system's optical spectra are calculated.

Findings: Theoretical analysis validates the experimental finding that in potassium titanium phosphate crystal, iron replaces titanium. The calculated and experimental energy values show a reasonable agreement. Thus theoretical study supports the results of the experimental investigation.

Practical Implications: The study shows that the method may be used to other ion-host systems to explore crystals of scientific and industrial applications.

Originality value: The study makes a substantial contribution to the literature on splitting parameters for crystal field and zero field of doped crystals.

Keywords: Electron paramagnetic resonance, single crystal, crystal fields, inorganic compounds.

Paper type: Research paper.

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Cite this Article as: Bharati M, Singh V & Kripal R (2023), “Zero Field Splitting Parameters in Theory and Optical Bands of Iron Intoxicated Potassium Titanium Phosphate Single Crystal ”, International Journal of Education & Applied Sciences Research, Volume 10, Issue 1, 2023, pp 24-36. DOI : https://doi.org/10.53882/IJEASR.2023.1001003

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REFERENCES

Ahn, S. W., Choh, S. H., Choi, B. C., Kim, J. N. (1992), EPR study of Fe3+ in KTiOPO4 single crystals. Ferroelectrics Letts., 18: 203-208. DOI: https://doi.org/10.1088/0953-8984%2F4%2F27%2F018

Boca, R. (2004), Zero-field splitting in metal complexes, Coord. Chem. Rev. 248: 757-815. DOI: https://doi.org/10.1016/j.ccr.2004.03.001

Boca, R., Rajnak, C., Titis, J. (2023), Zero-Field Splitting in Hexacoordinate Co(II) Complexes, Magndetochem. 9: 100(31 pages).

Edgar, A. (1976), Electron paramagnetic resonance studies of divalent cobalt ions in some chloride salts. J. Phys. C: Solid State Phys., 9: 4303-4314. DOI: https://10.1088/0022-3719/9/23/015

Kripal, R.(2022), Zero Field Splitting Parameter Study of Fe3+ in RbCdF3 Single

Kripal, R. (2022), Theoretical Investigation of Zero field splitting parameter of Fe3+ in CsCdF3 Retrieved From: http://ijirses.com/wp-content/uploads/2022/10/IJIRSES-021007.pdf

Kripal, R. (2023), Zero Field Splitting Parameter of Mn2+-Doped

Tl2Cd2(SO4)3 Single Crystals at Axial Symmetry Site, Acta Phys. Polon. A 143: 217-220. Retrieved From: http://ijirses.com/wp-content/uploads/2022/10/IJIRSES-021007.pdf

Newman, D. J. (1977), On the g-shift of S-state ions. J. Phys. C: Solid State Phys., 10: L315-L318.

Newman, D. J., Urban, W. (1975), Interpretation of S-state ion EPR spectra. Adv. Phys. 24: 793-844. DOI: https://doi.org/10.1080/00018737500101511

Newman, D. J., Ng, B. (1989), The superposition model of crystal fields. Rep. Prog. Phys., 52: 699-763. DOI: https://10.1088/0034-4885/52/6/002

Newman, D. J., Ng, B. (Eds.), (2000), Crystal Field Handbook; Cambridge University Press, Cambridge. DOI: https://doi.org/10.1017/CBO9780511524295

Radnell, C. J., Pilbrow, J. R., Subramanian, S., Rogers, M. T. (1975), Electron paramagnetic resonance of Fe3+ ions in (NH4)2SbF5. J. Chem. Phys., 62: 4948-4952. DOI: https://doi.org/10.1063/1.430410

Rudowicz, C. (1987), Concept of spin Hamiltonian, forms of zero field splitting and electronic Zeeman Hamiltonians and relations between parameters used in EPR. A

critical review. Magn. Reson. Rev., 13: 1-89. DOI: https://doi.org/10.1002/CHIN.198822356

Siegel, E., Mller, K. A. (1979), Local position of Fe3+ in ferroelectric BaTiO3. Phys. Rev. B 20: 3587-3595. DOI: https://doi.org/10.1103/PhysRevB.20.3587

Tordjman, I., Masse, R., Guitel, J. C. (1974), Structure cristalline du monophosphate KTiP05. Z. Kristallogr., 139: 103-115. DOI: https://doi.org/10.1524/zkri.1974.139.16.103

Weil, J. A., Bolton, J. R. (2007), Electron Paramagnetic Resonance: Elementary Theory and Practical Applications; 2nd ed., Wiley, New York. DOI: http://dx.doi.org/10.1063/1.2808029

Condens. Matter, 16: 3481–3494. DOI: https://10.1088/0953-8984/16/20/018

Yeom, T. H., Choh, S. H., Du, M. L. Jang, M. S. (1996), EPR study of Fe3+ impurities in crystalline BiVO4. Phys. Rev. B, 53: 3415-3421. DOI: https://doi.org/10.1103/PhysRevB.53.3415

Yeom, T. H. (2001), Superposition model calculation of zero-field splitting of Fe3+ in LiTaO3 crystal. J. Phys: Coondens. Matter, 13: 10471-10476. DOI: https://10.1088/0953-8984/13/46/315

Yeung, Y. Y. (1988), Local distortion and zero-field splittings of 3d5 ions in oxide crystals. J. Phys. C: Solid State Phys. 21: 2453-2461. DOI: https://doi.org/10.1088/0022-3719%2F21%2F13%2F010

Yu, W. L., Zhao, M.G. (1988), Spin-Hamiltonian parameters of 6S state ions. Phys. Rev. B, 37: 9254-9267. DOI: https://doi.org/10.1103/PHYSREVB.37.9254

Yu, W. L. (1989), Cubic zero-field splitting of a 6S state ion. Phys. Rev. B, 39: 622-632. DOI: https://doi.org/10.1103/PhysRevB.39.622

Zumsteg, F. C., Bierlein, J. D., Gier, T. E. (1976), KxRb1−xTiOPO4: A new nonlinear optical Material. J. Appl. Phys., 47: 4980-4985. DOI: https://doi.org/10.1063/1.322459

Int. J. of Edu. & App. Sci. Research

ZERO FIELD SPLITTING PARAMETERS IN THEORY AND OPTICAL BANDS OF IRON INTOXICATED POTASSIUM TITANIUM PHOSPHATE SINGLE CRYSTAL

Yeom, T. H., Choh, S. H., Du, M. L. Jang, M. S. (1996), EPR study of Fe3+ impurities in crystalline BiVO4. Phys. Rev. B, 53: 3415-3421. DOI: https://doi.org/10.1103/PhysRevB.53.3415

Yeom, T. H. (2001), Superposition model calculation of zero-field splitting of Fe3+ in LiTaO3 crystal. J. Phys: Coondens. Matter, 13: 10471-10476. DOI: https://10.1088/0953-8984/13/46/315

Yeom, T. H., Choh, S. H., Du, M. L. Jang, M. S. (1996), EPR study of Fe3+ impurities in crystalline BiVO4. Phys. Rev. B, 53: 3415-3421. DOI: https://doi.org/10.1103/PhysRevB.53.3415

Yeom, T. H. (2001), Superposition model calculation of zero-field splitting of Fe3+ in LiTaO3 crystal. J. Phys: Coondens. Matter, 13: 10471-10476. DOI: https://10.1088/0953-8984/13/46/315

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