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

• Authors: M. Vaida , C. Avram
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

71.70.Ch; 78.20.Bh; 34.20.Cf; 71.70.-d

Discipline

• 71.70.-d: Level splitting and interactions(see also 73.20.-r Surface and interface electron states; 75.30.Et Exchange and superexchange interactions)
• 71.70.Ch: Crystal and ligand fields
• 34.20.Cf: Interatomic potentials and forces
• 78.20.Bh: Theory, models, and numerical simulation

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2009
• Volume: 116
• Issue: 4
• Pages: 541-543

Dates

published

2009-10

Contributors

author

M. Vaida

• Department of Physics, West University of Timisoara, 300223, Timisoara, Romania

author

C. Avram

• Department of Physics, West University of Timisoara, 300223, Timisoara, Romania

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Identifiers

DOI

10.12693/APhysPolA.116.541