Investigations on the local structure and g factors for the interstitial Ti3+ in TiO2 |
| |
Authors: | L H Wei S Y Wu Z H Zhang X F Wang Y X Hu |
| |
Institution: | (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 |
| |
Abstract: | The EPR g factors gi (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 (≈0.026) and the rhombic
distortion angle δϕ′ (≈0.7°) around the impurity Ti3+ are smaller than the host values (≈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.
|
| |
Keywords: | Electron paramagnetic resonance (EPR) crystal and ligand fields Ti3+ rutile |
本文献已被 SpringerLink 等数据库收录! |
|