Research on the Optical and EPR Spectral Data and the Local Structure for the Tetragonal Nb^{4+} Center in Glasses

• Authors: Xiao-Xuan Wu , Xin-Peng Yu , Wen-Chen Zheng
• Languages of publication: EN

Abstracts

EN

Two optical bands and four EPR (or spin-Hamiltonian) parameters (g factors g_{∥}, g_{⊥} and hyperfine structure constants A_{∥}, A_{⊥}) of the tetragonally-compressed Nb^{4+} octahedral center in glasses are calculated from two methods, the complete diagonalization (of energy matrix) method and the perturbation theory method. Both methods are founded on the two-spin-orbit-parameter model where both the contribution to the spectral data from the spin-orbit parameter of central d^{n} ion and that of ligand ion via covalence effect are considered. The calculated results from both the complete diagonalization (of energy matrix) method and perturbation theory method show reasonable agreement with the experimental values. The signs and possible misprint for the observed hyperfine structure constants A_{∥} and A_{⊥} are suggested, and the local structure of the tetragonal Nb^{4+} center in glasses due to the Jahn-Teller effect is gained from the calculations. The results are discussed.

Keywords

EN

76.30.He; 71.70.Ch; 78.40.Pg; 78.55.Qr

Discipline

• 78.55.Qr: Amorphous materials; glasses and other disordered solids
• 71.70.Ch: Crystal and ligand fields
• 76.30.He: Platinum and palladium group (4dand 5d) ions and impurities (Zr-Ag and Hf-Au)
• 78.40.Pg: Disordered solids

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2015
• Volume: 128
• Issue: 1
• Pages: 72-75

Dates

published

2015-7

received

2014-11-29

Contributors

author

Xiao-Xuan Wu

• Department of Physics, Civil Aviation Flight University of China, Guanghan 618307, P.R. China

author

Xin-Peng Yu

• Department of Physics, Civil Aviation Flight University of China, Guanghan 618307, P.R. China

author

Wen-Chen Zheng

• Department of Material Science, Sichuan University, Chengdu 610064, P.R. China

References

• [1] I.M. Thoms, S.A. Payne, G.D. Wilke, J. Non-Cryst. Solids 151, 183 (1992), doi: 10.1016/0022-3093(92)90028-I
• [2] M. Morita, N. Miyazaki, S. Murkami, M. Herren, D. Rau, J. Lumin. 76/77, 238 (1998), doi: 10.1016/S0022-2313(97)00209-3
• [3] D.C. Lai, B. Dunn, J.I. Zink, Inorg. Chem. 35, 2152 (1996), doi: 10.1021/ic951310z
• [4] M. Herren, H. Nishiuchi, M. Morita, J. Chem. Phys. 101, 4461 (1994), doi: 10.1063/1.467430
• [5] S.H. Kim, T. Yoko, J. Am. Ceram. Soc. 78, 1061 (1995), doi: 10.1111/j.1151-2916.1995.tb08437.x
• [6] R.R. Rakhimov, D.E. Jones, H.L. Rocha, A.I. Prokofev, A.I. Aleksandrov, J. Phys. Chem. 104, 10973 (2000), doi: 10.1021/jp000150w
• [7] T. Takada, S.F. Wang, S. Yoshikawa, S.J. Jang, R.E. Newhnam, J. Am. Ceram. Soc. 77, 1909 (1994), doi: 10.1111/j.1151-2916.1994.tb07070.x
• [8] R.R. Rakhimov, D.E. Jones, H.L. Rocha, A.I. Prokofev, A.I. Aleksandrov, J. Phys. Chem. 104, 10973 (2000), doi: 10.1021/jp000150w
• [9] A. Bals, J. Kliava, J. Phys. Condens. Matter 3, 6209 (1991), doi: 10.1088/0953-8984/3/33/001
• [10] N.S. Rao, P.R. Rao, Y. Gandhi, Ch.S. Rao, G.S. Baskaran, V.R. Kumar, N. Veeraiah, Physica B 406, 4494 (2011), doi: 10.1016/j.physb.2011.09.014
• [11] O. Cozar, I. Ardelean, J. Optoelectron. Adv. Matter 5, 177 (2003)
• [12] O. Cozar, D.A. Magdas, I. Ardelean, J. Optoelectron. Adv. Matter 9, 1730 (2007)
• [13] A. Goldstein, V. Chiriac, D. Becherescu, J. Non-Cryst. Solids 92, 271 (1987), doi: 10.1016/S0022-3093(87)80044-3
• [14] A.I. Aleksandrov, N.N. Bubnov, A.I. Prokofev, Appl. Magn. Reson. 9, 251 (1995), doi: 10.1007/BF03162045
• [15] C. Rudowicz, Y.Y. Yeung, Z.Y. Yang, J. Qin, J. Phys. Condens. Matter 14, 5619 (2002), doi: 10.1088/0953-8984/14/22/314
• [16] W.C. Zheng, W. Fang, Y. Mei, J. Appl. Phys. 101, 053911 (2007), doi: 10.1063/1.2472647
• [17] W.Q. Yang, W.C. Zheng, L. He, H.G. Liu, Spectrochim. Acta A 75, 458 (2010), doi: 10.1016/j.saa.2009.11.008
• [18] W.C. Zheng, Y.J. Fan, X.X. Wu, Z. Naturforsch. A 60, 433 (2005), doi: 10.1515/zna-2005-0608
• [19] Y. Mei, W.C. Zheng, L. Zhang, Opt. Mater. 36, 535 (2013), doi: 10.1016/j.optmat.2013.10.026
• [20] A. Abragam, B. Bleaney, Electron Paramagnetic Resonance of Transition Ions, Oxford University Press, London 1970
• [21] B.R. McGarvey, J. Phys. Chem. 71, 51 (1967), doi: 10.1021/j100860a007
• [22] M.L. Du, C. Rudowicz, Phys. Rev. B 46, 8974 (1992), doi: 10.1103/PhysRevB.46.8974
• [23] W.C. Zheng, H.G. Liu, G.M. Jia, L. He, Spectrochim. Acta A 71, 1551 (2008), doi: 10.1016/j.saa.2008.06.001
• [24] E. Clementi, D.L. Raimondi, J. Chem. Phys. 38, 2686 (1963), doi: 10.1063/1.1733573
• [25] E. Clementi, D.L. Raimondi, W.P. Reinhardt, J. Chem. Phys. 47, 1300 (1967), doi: 10.1063/1.1712084
• [26] C.R. Weast, CRC Handbook of Chemistry and Physics, CRC Press, Roca Raton, FL 1989, p. F-187
• [27] J.J. Chen, M.L. Du, J. Qin, Phys. Status Solidi B 174, K15 (1992), doi: 10.1002/pssb.2221740134
• [28] M.L. Du, M.G. Zhao, Phys. Status Solidi B 153, 249 (1989), doi: 10.1002/pssb.2221530126
• [29] M.L. Du, Phys. Rev. B 46, 5274 (1992), doi: 10.1103/PhysRevB.46.5274
• [30] S. Sugano, Y. Tanabe, H. Kamimuru, Multiplets of Transition Metal Ions in Crystals, Academic Press, New York 1970
• [31] D.J. Newman, B. Ng, Rep. Prog. Phys. 52, 699 (1989), doi: 10.1088/0034-4885/52/6/002
• [32] C. Rudowicz, M.G. Brik, N.M. Avram, Y.Y. Yeung, P. Gnutek, J. Phys. Condens. Matter 18, 5221 (2006), doi: 10.1088/0953-8984/18/22/021
• [33] M.G. Brik, Y.Y. Yeung, J. Phys. Chem. Solids 69, 2401 (2008), doi: 10.1016/j.jpcs.2008.04.032
• [34] W.C. Zheng, Y. Mei, W.Q. Yang, Philos. Mag. 89, 1621 (2009), doi: 10.1080/14786430903002392
• [35] W.C. Zheng, W. Fang, L. He, Y. Mei, J. Alloys Comp. 453, 32 (2009), doi: 10.1016/j.jallcom.2006.11.083
• [36] V. Havliek, P. Novak, B.V. Mill, Phys. Status Solidi B 64, K19 (1974), doi: 10.1002/pssb.2220640152

Identifiers

DOI

10.12693/APhysPolA.128.72