- Tytuł:
- Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal $Cu^{2+}$ Centers in $Ca(OH)_2$
- Autorzy:
-
Zhang, H.
Wu, S.
Zhang, Z. - Powiązania:
- https://bibliotekanauki.pl/articles/1493658.pdf
- Data publikacji:
- 2011-09
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
- 76.30.Fc
- Opis:
- The spin Hamiltonian parameters (g factors $g_{∥ },$ $g_{⊥}$ and the hyperfine structure constants $A_{∥ },$ $A_{⊥}$) and the local structures for the two tetragonal $Cu^{2+}$ centers I and II in $Ca(OH)_2$ are theoretically studied from the perturbation formulae of these parameters for a $3d^9$ ion under tetragonally elongated octahedra. The $[Cu(OH)_6]^{4-}$ clusters on the substitutional $Ca^{2+}$ site are found to suffer the relative elongations by about 0.083 Å and 0.065 Å for centers I and II, respectively, along the $C_4$ axis due to the Jahn-Teller effect. The above tetragonal elongations may entirely depress the original trigonal distortion of the host $Ca^{2+}$ site in $Ca(OH)_2$. The calculated spin Hamiltonian parameters based on the above Jahn-Teller elongations show good agreement with the experimental results. The EPR spectra and the local structures for the two centers are compared with one another.
- Źródło:
-
Acta Physica Polonica A; 2011, 120, 3; 507-511
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł