• Investigations on the local structure and 𝑔 factors for the interstitial Ti3+ in TiO2

• Fulltext

https://www.ias.ac.in/article/fulltext/pram/071/01/0167-0173

• Keywords

Electron paramagnetic resonance (EPR); crystal and ligand fields; Ti3+; rutile.

• Abstract

The EPR 𝑔 factors $g_{i}$ $(i = x, y, z)$ for the interstitial Ti3+ in rutile are theoretically studied from the perturbation formulas of these parameters for a 3d1 ion in rhombically compressed octahedra. The ligand octahedron in the impurity center is found to be less compressed than that on the host interstitial site due to the Jahn–Teller effect. The local compression parameter $(\approx 0.026)$ and the rhombic distortion angle $\delta \phi'$ $(\approx 0.7^{\circ})$ around the impurity Ti3+ are smaller than the host values ($\approx 0.091$ and 3.5°). The theoretical 𝑔 factors based on the above local structural parameters are in good agreement with the experimental data. In addition, the 𝑔 factors for a tetragonal interstitial Ti3+ center are also reasonably interpreted.

• Author Affiliations

1. Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, People's Republic of China
2. International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, People's Republic of China

• Pramana – Journal of Physics

Volume 96, 2022
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Posted on July 25, 2019