2006Journal of China West Normal UniversityRequires access

Local Structure Determination of Al_2O_3∶Ni~(2+) Crystals from the Optical Spectra and EPR Spectra

Tai‐Hong Chen

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Abstract

In this work,according to the complete diagonalization procedure(CDP) and the Semi-SCF d-orbit model and the point charge model proposed by Zhao,assuming the structure symmetry of crystals haven't been destroyed,the unknown and changed crystal local structure parameter of Al_2O_3∶Ni~(2+) can be determined from the optical spectra and electron paramagnetic resonance(EPR) spectra,and the relationship between the optical spectra, EPR spectra and the crystal local structure parameters is set up.Calculation indicates that the optical spectra,EPR spectra and magnetic susceptibility,of Al_2O_3∶Ni~(2+) crystals can be interpreted uniformly.The theoretical results are in good agreement with experimental data.

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What this paper is about

In this work,according to the complete diagonalization procedure(CDP) and the Semi-SCF d-orbit model and the point charge model proposed by Zhao,assuming the structure symmetry of crystals haven't been destroyed,the unknown and changed crystal local structure parameter of Al_2O_3∶Ni~(2+) can be determined from the optical spectra and electron paramagnetic resonance(EPR) spectra,and the relationship between the optical spectra, EPR spectra and the crystal local structure parameters is set up.Calculation indicates that the optical spectra,EPR spectra and magnetic susceptibility,of Al_2O_3∶Ni~(2+) crystals can be interpreted uniformly.The theoretical results are in good agreement with experimental data.

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Available abstract

In this work,according to the complete diagonalization procedure(CDP) and the Semi-SCF d-orbit model and the point charge model proposed by Zhao,assuming the structure symmetry of crystals haven't been destroyed,the unknown and changed crystal local structure parameter of Al_2O_3∶Ni~(2+) can be determined from the optical spectra and electron paramagnetic resonance(EPR) spectra,and the relationship between the optical spectra, EPR spectra and the crystal local structure parameters is set up.Calculation indicates that the optical spectra,EPR spectra and magnetic susceptibility,of Al_2O_3∶Ni~(2+) crystals can be interpreted uniformly.The theoretical results are in good agreement with experimental data.

Key concepts: Electron paramagnetic resonance, Spectral line, Optical spectra, Crystal (programming language), Chemistry, Crystal structure, Molecular physics, Crystallography

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