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On Kinetic Exchange Theory
Author(s) -
Eremin M. V.,
Rakitin Yu. V.
Publication year - 1980
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.2220970103
Subject(s) - kinetic energy , charge (physics) , ferromagnetism , metal , chemistry , atomic orbital , transfer (computing) , exchange interaction , symmetry (geometry) , electron , electron transfer , atomic physics , condensed matter physics , physics , quantum mechanics , geometry , mathematics , organic chemistry , parallel computing , computer science
The kinetic exchange in transition metal ion pairs is analyzed for the case of crystal fields of simply reducible symmetry groups. The effects of non‐orthogonality of molecular orbitals belonging to different centres are treated explicitly for the first time in the multi‐electron theory. The kinetic exchange parameters are related to the covalency parameters of the metal—metal “bond” and charge transfer energies. The particular cases of low and high charge transfer energies are considered. It is shown that with low charge transfer energies, strong ferromagnetic kinetic exchange may predominate. Certain differences in the operator forms of the direct and kinetic exchange Hamiltonians are discussed. The results obtained are applied to interpret experimental data.