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Optimization of Spin‐Hamiltonian Parameters by the Method of Non‐Linear Least‐Squares Fitting
Author(s) -
Hrabański R.,
Lech J.
Publication year - 1990
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221620124
Subject(s) - electron paramagnetic resonance , hamiltonian (control theory) , spectral line , least squares function approximation , linear least squares , magnetic field , mathematics , condensed matter physics , chemistry , physics , mathematical analysis , nuclear magnetic resonance , quantum mechanics , mathematical optimization , linear model , statistics , estimator
A non‐linear iterative least‐squares fitting procedure for the analysis of EPR spectra is presented. In this method the line positions obtained for a given orientation of the external magnetic field are fitted to evaluate the spin‐Hamiltonian parameters. The procedure is illustrated by an application to the X‐band room temperature EPR data obtained for Mn 2+ doped single crystals of [Mg(H 2 O) 6 ]SnCl 6 .