Abstract
We present a theoretical study about the cation distribution and their effect on the physical properties of Ni-doped YIG system, based on a phenomenological model, the generalized Kapustinskii equation, and the single ion contribution to the saturation magnetization and cubic anisotropy constant. From the calculated reticular energy values (\(U_{{{\text{ret}}}}\)) it was possible to determine the more probable valence state configuration, corresponding with the coexistence of 3+ and 2+ oxidation states for Fe ions, the 2+ oxidation state for Ni, and oxygen vacancies presence. In addition, from the occupation probability values, it was demonstrated that Ni2+ and Fe2+ cations prefer to occupy the octahedral sites, reflecting on the saturation magnetization (Ms) and cubic anisotropy constant (K1) behaviors. The theoretical results of Ms and K1 were compared with the experimental values, showing a reasonable correspondence, considering the simplicity of the presented phenomenological model.
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References
M. Wu, A. Hoffmann, Recent Advances in Magnetic Insulators - From Spintronics to Microwave Applications (Academic Press, Cambridge, 2013)
S. Geller, M.A. Gilleo, The crystal structure and ferrimagnetism of yttrium-iron garnet, Y3Fe2(FeO4)3. J. Phys. Chem. Solids 3, 30–36 (1957). https://doi.org/10.1016/0022-3697(57)90044-6
S. Geller, M.A. Gilleo, The effect of dispersion corrections on the refinement of the yttrium-iron garnet structure. J. Phys. Chem. Solids 9, 235–237 (1959). https://doi.org/10.1016/0022-3697(59)90101-5
L.S. Xie, G.X. Jin, L. He, G.E.W. Bauer, J. Barker, K. Xia, First-principles study of exchange interactions of yttrium iron garnet. Phys. Rev. B 95, 014423 (2017). https://doi.org/10.1103/PhysRevB.95.014423
R. Peña-Garcia, Y. Guerra, F.E.P. Santos, L.C. Almeida, E. Padrón-Hernández, Structural and magnetic properties of Ni-doped yttrium iron garnet nanopowders. J. Magn. Magn. Mater. 492, 165650 (2019). https://doi.org/10.1016/j.jmmm.2019.165650
J.P. Caland, C.P.C. Medrano, A. Caytuero, E. Baggio-Saitovitch, F. Litterst, J.M. Soares, M. Cabrera-Baez, E. Padrón-Hernández, T. Marques, Y. Guerra, B.C. Viana, F.E.P. Santos, R. Peña-Garcia, Preferential site occupancy of Ni ions and oxidation state of Fe ions in the YIG crystal structure obtained by sol-gel method. J. Alloys Compd. 849, 156657 (2020). https://doi.org/10.1016/j.jallcom.2020.156657
L.R.F. Leal, R. Milani, D.M. Oliveira, Y. Guerra, E. Padrón-Hernández, A. Franco-Jr, B.C. Viana, F.E.P. Santos, R. Peña-Garcia, Competitive effect of dopants on magnetic and structural properties in yttrium iron garnet co-doped with Er and Cr. Ceram. Int. 46, 18584–18591 (2020). https://doi.org/10.1016/j.ceramint.2020.04.165
R.B. Borade, S.E. Shirsath, G. Vats, A.S. Gaikwad, S.M. Patange, S.B. Kadam, R.H. Kadam, A.B. Kadam, Polycrystalline to preferred-(100) single crystal texture phase transformation of yttrium iron garnet nanoparticles. Nanoscale Adv. 1, 403–413 (2019). https://doi.org/10.1039/C8NA00123E
S. Khanra, A. Bhaumik, Y.D. Kolekar, P. Kahol, K. Ghos, Structural and magnetic studies of Y3Fe5–5xMo5xO12. J. Magn. Magn. Mater. 369, 14–22 (2014). https://doi.org/10.1016/j.jmmm.2014.06.018
N.P. Duong, D.T.T. Nguyet, T.T. Loan, L.N. Anh, W.K.S. Soontaranon, T.T.V. Nga, Effects of Sn4+ doping and oxygen vacancy on magnetic and electrical properties of yttrium iron garnet prepared by sol-gel method. Ceram. Int. 47, 6442–6452 (2021). https://doi.org/10.1016/j.ceramint.2020.10.226
C. Rudowicz, Magnetocrystalline Anisotropy of 3d6 and 3d4 Ions at Triclinic. Symmetry sites application to Fe2+ Ions in YIG: Me4+ (Me = Si, Ge). Z. Naturforsch. 38a, 540–554 (1983). https://doi.org/10.1515/zna-1983-0510
C. Rudowicz, On the mechanism of spin reorientation in YIG:Si. Z. Naturforsch 39a, 605–614 (1984). https://doi.org/10.1515/zna-1984-0701
L.N. Mahour, M. Manjunatha, H.K. Choudhary, R. Kumar, A.V. Anupama, R. Damle, K.P. Ramesh, B. Sahoo, Structural and magnetic properties of Al-doped yttrium iron garnet ceramics: 57Fe internal field NMR and Mössbauer spectroscopy study. J. Alloys Compd. 773, 612–622 (2019). https://doi.org/10.1016/j.jallcom.2018.09.213
T. Su, S. Ning, E. Cho, C.A. Ross, Magnetism and site occupancy in epitaxial Y-rich yttrium iron garnet films. Phys. Rev. Mater. 5, 094403 (2021). https://doi.org/10.1103/PhysRevMaterials.5.094403
J. Matilla-Arias, E. Govea-Alcaide, P.A. Mariño-Castellanos, F. Rosales-Saiz, Phenomenological model for prediction of cation substitution distribution and some physical properties in Mn3+-doped barium hexaferrite. J. Supercond. Nov. Magn. 31, 251–256 (2018). https://doi.org/10.1007/s10948-017-4198-y
J. Matilla-Arias, E. Govea-Alcaide, P. Mariño-Castellanos, F. Rosales-Saiz, I.F. Machado, K. Montero-Rey, Effects of lanthanum on structural and magnetic properties of Sr1–xLa2/3xFe12O19 compounds: theoretical and experimental results. J. Supercond. Nov. Magn. 32, 3671–3678 (2019). https://doi.org/10.1007/s10948-019-5119-z
L. Glasser, Lattice energies of crystals with multiple ions: a generalized kapustinskii equation. Inorg. Chem. 34, 4935–4936 (1995). https://doi.org/10.1021/ic00124a003
L. Glasser, H.D. Brooke-Jenkins, Lattice energies and unit cell volumes of complex ionic solids. J. Am. Chem. Soc. 122, 632–638 (2000). https://doi.org/10.1021/ja992375u
W. Hume-Ruthery, G.W. Mabbott, K.M. Channel-Evans, The freezing points, melting points, and solid solubility limits of the alloys of silver and copper with the elements of the b sub-groups. Philos. Trans. R. Soc. A 233, 1–97 (1934). https://doi.org/10.1098/rsta.1934.0014
L. Pauling, The principles determining the structure of complex ionic crystals. J. Am. Chem. Soc. 51, 1010–1026 (1929). https://doi.org/10.1021/ja01379a006
L.H. Ahrens, The use of ionization potentials Part 1. Ionic radii of the elements. Geochim. Cosmochim. Acta 2, 155–169 (1952). https://doi.org/10.1016/0016-7037(52)90004-5
R.D. Shannon, Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Cryst. A 32, 751–767 (1976). https://doi.org/10.1107/S0567739476001551
W.D. Callister-Jr, Materials Science and Engineering: An Introduction (John Wiley & Sons, Hoboken, 2007)
B.D. Cullity, C.D. Graham, Introduction to Magnetic Materials, IEE Press (John Wiley & Sons, Hoboken, 2009)
M.N. Akhtar, K. Ali, A. Umer, T. Ahmad, M.A. Khan, Structural elucidation, and morphological and magnetic behavior evaluations, of low-temperature sintered, Ce-doped, nanostructured garnet ferrites. Mater. Res. Bull. 101, 48–55 (2018). https://doi.org/10.1016/j.materresbull.2018.01.009
M. Golkari, H. Shokrollahi, H. Yang, The influence of Eu cations on improving the magnetic properties and promoting the Ce solubility in the Eu, Ce-substituted garnet synthesized by the solid state route. Ceram. Int. 46, 8553–8560 (2020). https://doi.org/10.1016/j.ceramint.2019.12.085
R. Peña-Garcia, Y. Guerra, F.R. de Souza, L.A.P. Gonçalves, E. Padrón-Hernández, The extended Bloch’s law in yttrium iron garnet doped with Zn, Ni and Co. Phys. E Low Dimens. Syst. Nanostruct. 103, 354–360 (2018). https://doi.org/10.1016/j.physe.2018.06.027
S.A. Manuilov, S.I. Khartsev, A.M. Grishin, Pulsed laser deposited Y3Fe5O12 films: Nature of magnetic anisotropy I. J. Appl. Phys. 106, 123917 (2009). https://doi.org/10.1063/1.3272731
M.B. Moskowitz, Fundamental physical constants and conversion factors. A Handb. Phys. Const. 1, 346–355 (1995)
L. Leal, J. Matilla-Arias, Y. Guerra, C.S. Oliveira, S. Castro-Lopes, B.C. Viana, G. Abreu, P. Mariño-Castellanos, F. Santos, R. Peña-Garcia, Oxidation states and occupation sites of Fe and Cu ions in the Y3Fe5–xCuxO12, (0.00 ≤ x ≤ 0.05) compound synthesized via sol gel method. J. Alloys Compd. 915, 165417 (2022). https://doi.org/10.1016/j.jallcom.2022.165417
V. Sharma, B.K. Kuanr, Magnetic and crystallographic properties of rare-earth substituted yttrium-iron garnet. J. Alloys Compd. 748, 591–600 (2018). https://doi.org/10.1016/j.jallcom.2018.03.086
F. Chen, Q. Li, X. Wang, J. Ouyang, Y. Nie, Z. Feng, R. Gong, Y. Chen, V.G. Harris, Crystal structure tailored microwave magnetodielectric effect in YbxY3-xFe5O12 ceramics. J. Alloys Compd. 726, 1030–1039 (2017). https://doi.org/10.1016/j.jallcom.2017.08.040
K. Momma, F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J. Appl. Crystallogr. 44, 1272–1276 (2011). https://doi.org/10.1107/S0021889811038970
M. Gonçalves, J. Matilla-Arias, F.P. Araujo, Y. Guerra, B.C. Viana, E.C. Silva-Filho, J.A. Osajima, L.C. Almeida, A. Franco Jr., R. Peña-Garcia, Investigation of structural, optical and magnetic properties of Y3–xCexFe5-yEryO12 compound. Phys B: Condens. Matter. 644, 414231 (2022). https://doi.org/10.1016/j.physb.2022.414231
R. Peña-Garcia, Y. Guerra, D.M. Oliveira, A. Franco Jr., E. Padrón-Hernández, Local atomic disorder and temperature dependence of saturation magnetization in yttrium iron garnet. Ceram. Int. 46, 5871–5875 (2020). https://doi.org/10.1016/j.ceramint.2019.11.038
D.T.T. Nguyet, N.P. Duong, T. Satoh, L.N. Anh, T.D. Hien, Temperature-dependent magnetic properties of yttrium iron garnet nanoparticles prepared by citrate sol-gel. J. Alloys Compd. 541, 18–22 (2012). https://doi.org/10.1016/j.jallcom.2012.06.122
Acknowledgements
The authors are grateful to the Brazilian Agencies: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES); Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq), (CNPq N 4/2021-Bolsa de Produtividade em Pesquisa-PQ, 307659/2021-6), (Chamada CNPq/MCTI/FNDCT N o 18/2021-Faixa A, 407796/2021-5); Financiadora de Estudos e Projetos (FINEP) and Fundação de Amparo à Ciência e Tecnologia de Pernambuco (FACEPE) (APQ-0635- 3.03/21-Jovens Pesquisadores).
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Matilla-Arias, J., Guerra, Y., Mariño-Castellanos, P.A. et al. Theoretical investigation of cation distribution and their effect on the physical properties of Ni-doped YIG system. Appl. Phys. A 128, 1087 (2022). https://doi.org/10.1007/s00339-022-06236-y
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DOI: https://doi.org/10.1007/s00339-022-06236-y