- Tytuł:
- Investigations on the Spin-Hamiltonian Parameters and Local Structure of the Orthorhombic $Cu^{2+}$ Center in $PbTiO_3$ Crystal
- Autorzy:
-
Chao-Ying, Li
Li-Bin, Cheng
Xue-Mei, Zheng - Powiązania:
- https://bibliotekanauki.pl/articles/1400511.pdf
- Data publikacji:
- 2015-06
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
76.30.Fc
75.10.Dg
71.70.Ch - Opis:
- The spin-Hamiltonian parameters (the g factors $g_{i}$ and the hyperfine structure constants $A_{i}$, i = x, y, z) and local structure of the $Cu^{2+}$ center in $PbTiO_{3}$ are theoretically studied by using the perturbation formulae of these parameters for a $3d^{9}$ ion in an orthorhombically elongated octahedra. The orthorhombic center is attributed to $Cu^{2+}$ occupying the host $Ti^{4+}$ site associated with a nearest-neighbouring oxygen vacancy $V_{O}$ along the c-axis, and the impurity $Cu^{2+}$ off-center displacement $\Delta Z_{L}$ ( ≈0.18 Å) is smaller than that of the host $Ti^{4+}$ site ($\Delta Z_{H}$≈ 0.3 Å). Meanwhile, the planar $Cu^{2+}-O^{2-}$ bonds are found to experience the relative variation ΔR ( ≈ 0.098 Å) along the a- and b-axes, respectively, due to the Jahn-Teller effect and the size mismatching substitution of $Ti^{4+}$ by $Cu^{2+}$. The theoretical spin-Hamiltonian parameters based on the above defect structure agree well with the observed values.
- Źródło:
-
Acta Physica Polonica A; 2015, 127, 6; 1671-1675
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł