Theoretical Zero Field Splitting Parameters of Fe3+ doped (NH4)2[AlF5.H2O] Single Crystal

Ram Kripal¹ , Lal Chandra Shukla²

Section:Research Paper, Product Type: Journal-Paper
Vol.10 , Issue.1 , pp.5-9, Feb-2022

Online published on Feb 28, 2022

Copyright © Ram Kripal, Lal Chandra Shukla . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
 

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Abstract :
Zero field splitting parameters (ZFSPs) D and E of Fe3+ doped (NH4)2[AlF5.H2O] (AAF) crystals are determined theoretically at room temperature (RT) using Crystal field parameters (CFPs) from superposition model. The obtained theoretical D and E are in reasonable agreement with the experimental values. The experimental conclusion that Fe3+ substitutes for Al3+ in AAF is supported by the present study. The parameters D and E are computed without and with local distortion. These D and E provide reasonable agreement with the experimental ones when we consider the local distortion.

Key-Words / Index Term :
Inorganic compounds; Single crystal; Crystal fields; Optical properties; Electron paramagnetic resonance

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