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Zero‐Field Splitting in Trigonal Symmetry. Cr 3+ and Fe 3+ in α‐LiIO 3
Author(s) -
Karthe W.
Publication year - 1977
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.2220810135
Subject(s) - zero field splitting , zero (linguistics) , chromium , trigonal crystal system , condensed matter physics , lattice constant , lattice (music) , chemistry , atomic physics , symmetry (geometry) , physics , field (mathematics) , quantum mechanics , crystal structure , crystallography , mathematics , geometry , diffraction , spin polarization , electron , linguistics , philosophy , organic chemistry , pure mathematics , acoustics
The constant of zero‐field splitting B 2 0 : of Cr 3+ in α‐LiIO 3 is calculated employing the methods of Rimmer and Johnston and Macfarlane. The lattice sums are determined from the structure of the chromium centre and by the use of the quadrupolar constant of lithium in chromium‐doped LiIO 3 . A good agreement between the theoretically and experimentally determined values of B 2 0is achieved. The contributions of most mechanisms to the zero‐field splitting of S‐states investigated so far are calculated for Fe 3+ in α‐LiIO 3 by using the above lattice sums because the structure of the centre is quite similar to that of the Cr 3+ centre. The theoretically determined value proves to be too small by one order of magnitude. The relativistic mechanism in an overlap model is supposed to contribute to a better agreement.