• P Xu

Articles written in Pramana – Journal of Physics

• Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl

The electron paramagnetic resonance (EPR) parameters (the 𝑔 factors, hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir2+ centre in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 5d7 ion in tetragonally elongated octahedra. This impurity centre is attributed to the substitutional [IrCl6]4- cluster on host Na+ site, associated with the 4% relative elongation along the $C_{4}$-axis due to the Jahn–Teller effect. Despite the ionicity of host NaCl, the [IrCl6]4- cluster still exhibits moderate covalency and then the ligand orbital and spin-orbit coupling contributions should be taken into account. In addition, the theoretical EPR parameters based on the Jahn–Teller elongation show good agreement with the observed values.

• # Pramana – Journal of Physics

Volume 95, 2021
All articles
Continuous Article Publishing mode

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019