- Tytuł:
- Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺ Ion in BaF₂
- Autorzy:
-
Lin, J.
Xiao, P.
Zhao, Y.
Zhang, B.
Yang, Y. - Powiązania:
- https://bibliotekanauki.pl/articles/1398965.pdf
- Data publikacji:
- 2016-06
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
75.10.Dg
76.30.Fc - Opis:
- The spin Hamiltonian parameters (g-factors and the hyperfine structure constants) and local structure are theoretically studied for single Cu²⁺ ion in BaF₂ from the high-order perturbation formulae of these parameters for 3d⁹ ions in tetragonally elongated octahedra. In the calculations, the ligand orbital and spin-orbit coupling of the impurity Cu²⁺ are taken into account, based on the cluster approach. Due to the Jahn-Teller effect and size mismatching substitution, the impurity Cu²⁺ is found to be located at a distance of about 0.2 Å from the nearest fluorine plane. The signs of the hyperfine structure constants $A_∥ $ and $ A_⊥ $ are suggested. The theoretical spin Hamiltonian parameters based on the above local structure are in good agreement with the observed values.
- Źródło:
-
Acta Physica Polonica A; 2016, 129, 6; 1173-1177
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł