Eur. Phys. J. Appl. Phys.
Volume 48, Number 2, November 2009
|Number of page(s)||5|
|Section||Imaging, Microscopy and Spectroscopy|
|Published online||17 September 2009|
Investigations on the defect structure and the EPR parameters for AgBr:Ir2+
Department of Applied Physics, University of Electronic Science and
Technology of China, Chengdu 610054, P.R. China
2 International Centre for Materials Physics, Chinese Academy of Sciences, 110016 Shenyang, P.R. China
Corresponding author: email@example.com
Revised: 26 May 2009
Accepted: 28 May 2009
Published online: 17 September 2009
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 5d7 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.
PACS: 71.70.Ch – Crystal and ligand fields / 75.10.Dg – Crystal-field theory and spin Hamiltonians / 76.30.He – Platinum and palladium group
© EDP Sciences, 2009
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.