Hostname: page-component-cd9895bd7-hc48f Total loading time: 0 Render date: 2024-12-27T07:10:31.640Z Has data issue: false hasContentIssue false
  • English
  • Français

Investigations on the defect structure and the EPR parameters for AgBr:Ir2+

Published online by Cambridge University Press:  17 September 2009

Y.-X. Hu ,
S.-Y. Wu ,
X.-F. Wang  and
P. Xu
Y.-X. Hu
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China
S.-Y. Wu*
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China International Centre for Materials Physics, Chinese Academy of Sciences, 110016 Shenyang, P.R. China
X.-F. Wang
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China
P. Xu
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China
*
[email protected]
Get access

Abstract

The defect structure and the EPR parameters (the g factors, the hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir2+ center in AgBr are theoretically investigated using the perturbation formulas of these parameters for a 5d 7 ion in tetragonally elongated octahedra. In the calculations, the contributions from the ligand orbital and spin-orbit coupling interactions and the local lattice (elongation) distortion due to the Jahn-Teller effect are taken into account. Related molecular orbital coefficients and the ligand unpaired spin densities are determined quantitatively using a cluster approach. The impurity center is attributed to the substitutional [ IrBr6] 4− cluster on host Ag+ site, which suffers the relative elongation of about 0.08 Å along C4 axis due to the Jahn-Teller effect. The calculated EPR parameters based on the above Jahn-Teller elongation show good agreement with the observed values.

Keywords

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 48 , Issue 2 , November 2009 , 20901
Copyright
© EDP Sciences, 2009

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Spoonhower, J.P., Burberry, M.S., Solid State Commun. 53, 933 (1985) CrossRef
Spoonhower, J.P., Hamer, C.A., J. Lumin. 28, 221 (1983) CrossRef
Spoonhower, J.P., Hamer, C.A., J. Lumin. 28, 191 (1983) CrossRef
M. Slagt, Y. Iwasa, T. Owaki, A. Hirano, in Int. Symp. on Silver Halide Imaging: Recent Advances and Future Opportunities in Silver Halide Imaging, St. Adele, Quebec, Canada (The Society For Imaging Science and Technology (IS&T), Springfield, 2000), p. 326
Deri, R.J., Spoonhower, J.P., J. Chem. Phys. 80, 5423 (1984) CrossRef
K.K. Chan, L. Shields, J. Chem. Soc. A, 2700 (1970)
Cook, F.B.I., Smith, M.J.A., J. Phys. C 7, 2353 (1974) CrossRef
Busse, J., Phys. Stat. Sol. 3, 1892 (1963) CrossRef
Eachus, R.S., Graves, R.E., J. Chem. Phys. 65, 1530 (1976) CrossRef
A. Abragam, B. Bleaney, Electron Paramagnetic Resonance of Transition Ions (Oxford University Press, London, 1970)
Lacroix, R., Hochli, U., Müller, K.A., Helv. Phys. Acta 37, 627 (1964)
Tanabe, Y., Sugano, S., J. Phys. Soc. Jpn 9, 753 (1954) CrossRef
Suss, J.T., Raizman, A., Low, W., Phys. Rev. 15, 5184 (1977)
Vrielinck, H., Sabbe, K., Callens, F., Matthys, P., Vandenbroucke, D., Spectrochim. Acta A 6, 319 (2000) CrossRef
Barriuso, M.T., Fernandez, P.G., Aramburu, J.A., Moreno, M., Solid State Commun. 120, 1 (2001) CrossRef
McGarvey, B.R., J. Phys. Chem. 71, 51 (1967) CrossRef
Wu, S.Y., Gao, X.Y., Dong, H.N., J. Magn. Magn. Mater. 301, 67 (2006) CrossRef
Owen, J., Thornley, J.H.M., Rep. Prog. Phys. 29, 675 (1966) CrossRef
Yao, J.S., Wu, S.Y., Gao, X.Y., Zhang, H.M., Hyperfine Interact. 174, 103 (2007) CrossRef
Mülliken, R.S., J. Chim. Phys. 46, 497 (1967) CrossRef
Newman, D.J., Ng, B., Rep. Prog. Phys. 52, 699 (1989) CrossRef
Newman, D.J., Pryce, D.C., Runciman, W.A., Am. Mineral. 63, 1278 (1978)
Yang, Z.Y., Rudowicz, C., Yeung, Y.Y., Physica B 348, 151 (2004) CrossRef
Shannon, R.D., Acta Crystallogr. A 32, 751 (1976) CrossRef
Moreno, M., Barriuso, M.T., Aramburu, J.A., Appl. Magn. Reson. 3, 283 (1992) CrossRef
C.K. Jorgensen, Absorption spectra and chemical bonding in complexes, 2nd edn. (Pergamon Press, Oxford, 1964)
C.K. Jorgensen, private communications
Clementi, E., Raimondi, D.L., J. Chem. Phys. 38, 2686 (1963) CrossRef
Clementi, E., Raimondi, D.L., Reinhardt, W.P., J. Chem. Phys. 47, 1300 (1967) CrossRef
C.A. Morrison, Crystal Field for Transition Metal Ions in Laser Host Materials (Springer, Berlin, 1992)
McPerson, G.L., Kach, R.C., Stucky, G.D., J. Chem. Phys. 60, 1424 (1974) CrossRef
McMillan, J.A., Halpern, T., Adv. Inorg. Chem. Radiochem. 13, 135 (1970)
X.Z. You, Structures and properties of coordination compounds (Publishing of Science and Technology, Tianjing, 1992)