Investigations on the Spin-Hamiltonian Parameters and Local Structure of the Orthorhombic Cu^{2+} Center in PbTiO_3 Crystal

• Authors: Li Chao-Ying , Cheng Li-Bin , Zheng Xue-Mei
• Languages of publication: EN

Abstracts

EN

The spin-Hamiltonian parameters (the g factors g_{i} and the hyperfine structure constants A_{i}, i = x, y, z) and local structure of the Cu^{2+} center in PbTiO_{3} are theoretically studied by using the perturbation formulae of these parameters for a 3d^{9} ion in an orthorhombically elongated octahedra. The orthorhombic center is attributed to Cu^{2+} occupying the host Ti^{4+} site associated with a nearest-neighbouring oxygen vacancy V_{O} along the c-axis, and the impurity Cu^{2+} off-center displacement ΔZ_{L} ( ≈0.18 Å) is smaller than that of the host Ti^{4+} site (ΔZ_{H} ≈ 0.3 Å). Meanwhile, the planar Cu^{2+}-O^{2-} bonds are found to experience the relative variation ΔR ( ≈ 0.098 Å) along the a- and b-axes, respectively, due to the Jahn-Teller effect and the size mismatching substitution of Ti^{4+} by Cu^{2+}. The theoretical spin-Hamiltonian parameters based on the above defect structure agree well with the observed values.

Keywords

EN

76.30.Fc; 75.10.Dg; 71.70.Ch

Discipline

• 71.70.Ch: Crystal and ligand fields
• 76.30.Fc: Iron group (3d) ions and impurities (Ti-Cu)
• 75.10.Dg: Crystal-field theory and spin Hamiltonians(see also 71.70.Ch Crystal and ligand fields)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2015
• Volume: 127
• Issue: 6
• Pages: 1671-1675

Dates

published

2015-06

received

2014-09-14

(unknown)

2015-03-11

Contributors

author

Li Chao-Ying

• School of Physics and Electronic Information, Shangrao Normal University, Shangrao Jiangxi 334000, P.R. China

author

Cheng Li-Bin

• School of Physics and Electronic Information, Shangrao Normal University, Shangrao Jiangxi 334000, P.R. China

author

Zheng Xue-Mei

• School of Physics and Electronic Information, Shangrao Normal University, Shangrao Jiangxi 334000, P.R. China

References

• [1] M.E. Lines, A.M. Glass, Principles and Applications of Ferro electric and Related Materials, Oxford University Press, Oxford 2001.
• [2] J.V. Tol, K.P. Dinse, H. Kungl, M.J. Hoffman, Appl. Magn. Reson. 36 , 297 (2009), doi: 10.1007/s00723-009-0026-2
• [3] T.Y. Chen, S.Y. Chu, R.C. Chang, C.K. Cheng, C.S. Hong, H.H. Nien, Sens. Actuat. A 134 , 452 (2007), doi: 10.1016/j.sna.2006.05.005
• [4] V.V. Laguta, M.D. Glinchuk, I.P. Bykov, Yu.L. Maksimenko, J. Rosa, L. Jastrabík, Phys. Rev. B 54, 12353 (1996), doi: 10.1103/PhysRevB.54.12353
• [5] V.V. Laguta, T.V. Antimirova, M.D. Glinchuk, I.P. Bykov, J. Rosa, M. Zaritskii, L. Jastrabik, J. Phys. Condens. Matter 9, 10041 (1997), doi: 10.1088/0953-8984/9/45/030
• [6] D.J. Keeble, Z. Li, E.H. Poindexter, J. Phys. Condens. Matter 7, 6327 (1995), doi: 10.1088/0953-8984/7/31/015
• [7] D.J. Keeble, E.H. Poindexter, G.J. Gerardi, Appl. Spectrosc. 51, 117 (1997), doi: 10.1366/0003702971938858
• [8] H. Meštrić, R.A. Eichel, T. Kloss, K.P. Dinse, So. Laubach, St. Laubach, P.C. Schmidt, K.A. Schönau, M. Knapp, H. Ehrenberg, Phys. Rev. B 71, 134109 (2005), doi: 10.1103/PhysRevB.71.134109
• [9] R.A. Eichel, M.D. Drahus, P. Jakes, E. Erunal, E. Erdem, S.K.S. Parashar, H. Kungl, M.J. Hoffmann, Mol. Phys. 107, 1981 (2009), doi: 10.1080/00268970903084920
• [10] X.X. Wu, W.C. Zheng, S. Tang, Z. Naturforsch. 59a, 47 (2004)
• [11] H. Meštrić, R.A. Eichel, K.P. Dinse, A. Ozarowski, J.V. Tol, L.C. Brunel, J. Appl. Phys. 96, 7440 (2004), doi: 10.1063/1.1808477
• [12] W.L. Warren, B.A. Tuttle, E.C. Rong, G.J. Gerardi, E.H. Poindexter, J. Am. Ceram. Soc. 80, 680 (1997), doi: 10.1111/j.1151-2916.1997.tb02884.x
• [13] M.Q. Kuang, S.Y. Wu, H.M. Zhang, Optick 123, 1601 (2012), doi: 10.1016/j.ijleo.2011.08.032
• [14] S.Y. Wu, H.M. Zhang, G.D. Lu, J.S. Yao, Z. Naturforsch. 62a, 338 (2007)
• [15] M.J. Haun, E. Furman, S.J. Jang, H.A. McKinstry, L.E. Cross, J. Appl. Phys. 62, 3331 (1987), doi: 10.1063/1.339293
• [16] A. Abragam, B. Bleaney, Electron Paramagnetic Resonance of Transition Ions, Clarendon Press, Oxford 1970
• [17] A.S. Chakravarty, Introduction to the Magnetic Properties of Solids, Wiley-Interscience, New York 1980
• [18] S.Y. Wu, X.Y. Gao, J.Z. Lin, Q. Fu, J. Alloys Comp. 424, 55 (2006), doi: 10.1016/j.jallcom.2005.12.076
• [19] J.S. Griffith, The Theory of Transition-Metal Ions, Cambridge University Press, London 1964
• [20] C.Y. Li, X.M. Zheng, Acta Phys. Pol. A 125, 73 (2014), doi: 10.12693/APhysPolA.125.73
• [21] W.Q. Yang, W.C. Zheng, P. Su, H.G. Liu, Cryst. Res. Technol. 45, 1132 (2010), doi: 10.1002/crat.201000384
• [22] H.N. Dong, S.Y. Wu, P. Li, Phys. Status Solidi B 241, 1935 (2004), doi: 10.1002/pssb.200402033
• [23] B.R. McGarvey, J. Phys. Chem. 71, 51 (1967), doi: 10.1021/j100860a007
• [24] D.J. Newman, B. Ng, Rep. Prog. Phys. 52, 699 (1989), doi: 10.1088/0034-4885/52/6/002
• [25] H.N. Dong, Z. Naturforsch. 60a, 615 (2005)
• [26] H.M. Zhang, S.Y. Wu, M.Q. Kuang, Z.H. Zhang, J. Phys. Chem. Solids 73, 846 (2012), doi: 10.1016/j.jpcs.2012.02.021
• [27] W.C. Zheng, D.T. Zhang, P. Su, H.G. Liu, Spectrochim. Acta A 81, 548 (2011), doi: 10.1016/j.saa.2011.06.049
• [28] W.L. Feng, L. He, W.Q. Yang, W.C. Zheng, Mol. Phys. 107, 2293 (2009), doi: 10.1080/00268970903268077
• [29] S.Y. Wu, Q. Fu, J.S. Yao, H.M. Zhang, Radiat. Eff. Defects Solids 162, 627 (2007), doi: 10.1080/10420150701197422
• [30] B.T. Song, S.Y. Wu, M.Q. Kuang, X.F. Hu, Optik 124, 2493 (2013), doi: 10.1016/j.ijleo.2012.08.012

Identifiers

DOI

10.12693/APhysPolA.127.1671