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Spin‐Correlated Crystal‐Field Analyses of the 4f 2 (Pr 3+ ) Energy Levels in LiYF 4 :Pr 3+ and LiBiF 4 :Pr 3+
Author(s) -
Jayasankar C. K.,
Richardson F. S.
Publication year - 1989
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.2221550122
Subject(s) - crystal (programming language) , multiplet , atomic physics , field (mathematics) , physics , energy (signal processing) , chemistry , crystallography , spectral line , mathematics , quantum mechanics , computer science , pure mathematics , programming language , astronomy
Comparative analyses of the 4f 2 (Pr 3+ ) energy level structure in LiYF 4 :Pr 3+ and LiBiF 4 :Pr 3+ are reported. These analyses are based on a phenomenological crystal‐field model that includes some (partial) consideration of electron‐correlation effects in the 4f‐electron‐crystal‐field interactions. Parametric fits of calculated‐to‐experimental energy level data are reported for a 48‐level data set for LiYF 4 :Pr 3+ , a 38‐level data set for LiBiF 4 :Pr 3+ , and a data set that contains 37 levels assigned in common for the two systems. The 4f 2 energy level structure is qualitatively similar in the two systems, but the LiYF 4 :Pr 3+ system exhibits slightly stronger crystal‐field interactions. Inclusion of spin‐correlated crystal‐field (SCCF) interactions in the phenomenological energy level analyses produces slightly improved agreement between calculated and empirical results, but it does not resolve major discrepancies between calculated and observed crystal‐field splittings within the 1 G 4 and 1 D 2 multiplet manifolds.