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The superposition model in crystal field theory
Author(s) -
Eremin M. V.,
Kornienko A. A.
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.2220790244
Subject(s) - hamiltonian (control theory) , superposition principle , allowance (engineering) , electron , crystal field theory , physics , crystal (programming language) , mathematical physics , chemistry , quantum mechanics , atomic physics , mathematics , condensed matter physics , ion , computer science , engineering , mechanical engineering , mathematical optimization , programming language
A crystal field Hamiltonian is obtained with allowance for metal‐ligand interaction. Apart from the standard terms it contains the operators {U (k′) U (k″) } ( p ) whose role is discussed. Convenient expressions for the Hamiltonian parameters are obtained which make it possible to take into account the spatial distribution of all cluster electrons. Detailed calculations and comparison with experiments are made on KMgF 3 ,:Mn 2+ and KNiF 3 , crystals.