- Tytuł:
- Theoretical Studies of the Local Structures and EPR Spectra for $VO^{2+}$ in $MB_4O_7$ (M = Zn, Cd) Glasses
- Autorzy:
-
Li, C.
Zheng, X. - Tematy:
- 76.30.Fc
- Pokaż więcej
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Powiązania:
- https://bibliotekanauki.pl/articles/1206562.pdf Link otwiera się w nowym oknie
- Opis:
- Electron spin resonance spectral parameters (g factors $g_{∥}$, $g_{⊥}$ and hyperfine structure constants $A_{∥}$, $A_{⊥}$) of a tetragonal $V^{4+}$ centers in $MB_4O_7$ (M = Zn, Cd) are theoretically investigated by using the perturbation formulae for a $3 d^1$ ion in tetragonally compressed octahedra. In these formulae, the contributions to the g factors from the tetragonal distortion, characterized by the tetragonal field parameters $D_{s}$ and $D_{t}$ are taken into account by considering the local structures of the ligand octahedron around the $V^{4+}$ due to the Jahn-Teller effect. Based on the calculations, the ligand octahedra around $V^{4+}$ are suggested to suffer about 5.7% and 4.3% relative compression along $C_4$ axis for $MB_4O_7$ glasses with M = Zn and Cd, respectively, and negative signs of the hyperfine structure constants $A_{∥}$ and $A_{⊥}$ for $V^{4+}$ centers in $MB_4O_7$ glasses were suggested in the discussion.
- Dostawca treści:
- Biblioteka Nauki
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