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Single‐State Crystal Field Parametrization in the Cubic Symmetry Systems
Author(s) -
Mulak Maciej,
Mulak Jacek
Publication year - 2021
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.202100057
Subject(s) - parametrization (atmospheric modeling) , field (mathematics) , state (computer science) , degeneracy (biology) , ion , octahedron , physics , crystal (programming language) , quantum mechanics , mathematics , pure mathematics , bioinformatics , algorithm , computer science , biology , programming language , radiative transfer
A single‐state algebraicH CFparametrization is applied to 47 free‐ion triply ionized lanthanide electronic states that originate from 11 ions embedded in four various octahedral hosts, mainly in Cs 2 NaLaCl 6 matrix. The obtained single‐stateH CFparametrizations averaged over the considered | J ⟩ states of 2 J + 1 degeneracy adequately reproduce the conventional fitting parametrization, where as many pairs of the cubic B 40 and B 60 crystal field (CF) parameters as the states in the configuration are replaced by only one universal pair. This is the essence of the fitting procedure. The comparison between the single‐stateH CFparametrizations and the corresponding fittedH CFparametrization reveals the structure of anatomy of the fitting as well as the component states of the configuration giving an untypical contribution to the mean value. The single‐stateH CFparametrization unveils directly not only the physical CF parameters of the state but also the host ligand strength, it means its position in the spectrochemical series.