Theoretical Studies of Electron Paramagnetic Resonance Parameters for Cr^4＋ Ions in Ca2GeO4 Crystals

Theoretical Studies of Electron Paramagnetic Resonance Parameters for Cr^4＋ Ions in Ca2GeO4 Crystals

The electron paramagnetic resonance (EPR) parameters (zero-field splitting D and g factors g||, g┴) of Cr^4+ ions in Ca2GeO4 crystals have been calculated from the complete high-order perturbation formulas of EPR parameters for a 3d^2 ion in trigonal MX4 clusters. In these formulas, in addition to t...

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Veröffentlicht in:Communications in theoretical physics 2005, Vol.43 (2), p.337-340
1. Verfasser: WUXiao-Xuan ZHENGWen-Chen MEIYang
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Sprache:eng
Schlagworte:
光谱学
可调激光晶体
晶体-配位体
电子顺磁共振
电荷转换力学
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description The electron paramagnetic resonance (EPR) parameters (zero-field splitting D and g factors g||, g┴) of Cr^4+ ions in Ca2GeO4 crystals have been calculated from the complete high-order perturbation formulas of EPR parameters for a 3d^2 ion in trigonal MX4 clusters. In these formulas, in addition to the contributions to EPR parameters from the widely used crystal-field (CF) mechanism, the contributions from the charge-transfer (CT) mechanism (which are often neglected) are included. From the calculations, it is found that for the high valence state 3d^n ions in crystals, the reasonable explanation of EPR parameters (in particular, the g factors) should take both the CF and CT mechanisms into account.
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source IOP Publishing Journals; Institute of Physics (IOP) Journals - HEAL-Link; Alma/SFX Local Collection
subjects 光谱学
可调激光晶体
晶体-配位体
电子顺磁共振
电荷转换力学
title Theoretical Studies of Electron Paramagnetic Resonance Parameters for Cr^4＋ Ions in Ca2GeO4 Crystals
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