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Exchange Charge Model for Fe^{3+}:LiAl_{5}O_{8}

100%

Vaida M., Avram C.

Acta Physica Polonica A

2009

vol. 116

issue 4

541-543

The aim of this paper is the theoretical investigation of Fe^{3+} doped in the ordered phase of LiAl_{5}O_8. We used the shell model and pair potential approximation to optimize the geometric structure of LiAl_{5}O_{8}. This approach enables the modeling of the crystal field parameters of LiAl_{5}O_8 and then calculates the energy levels scheme of Fe^{3+} ions doped in tetrahedral sites in the title crystal. Consistent crystal field analysis and the energy level splittings for LiAl_{5}O_{8} doped with Fe^{3+} ions was performed in the frame of the exchange charge model of crystal field. The comparison of the theoretically obtained results for energy levels with the experimental data, yields satisfactory agreement and confirms the validity of the exchange charge model.

Angular Distortion around Cr^{3+} Ions Doped Diammonium Hexaaqua Magnesium Sulphate Single Crystal

81%

Ciresan M., Vaida M., Avram N.

Acta Physica Polonica A

2007

vol. 112

issue 5

835-839

The aim of the present study is to explain the local distortion around Cr^{3+} ions doped in the title crystal using the latest experimental data regarding optical and EPR spectra. We calculated g_ǁ, g_⊥, and D spin-Hamiltonian parameter as function of angle between the C_3 axis and metal-ligand chemical bond in local distorted octahedral cluster [CrO_6]^{9-} formed after doped crystal. The method is based on the single spin-orbit coupling parameter model, in the cluster approach using Macfarlane high order perturbation formulae. The results compared with experimental data give a reasonable agreement.

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2 Acta Physica Polonica A

1 2009

1 2007

2 Vaida M.

1 Avram C.

1 Avram N.

1 Ciresan M.

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Exchange Charge Model for Fe^{3+}:LiAl_{5}O_{8}

Angular Distortion around Cr^{3+} Ions Doped Diammonium Hexaaqua Magnesium Sulphate Single Crystal