A Generalized Mechanism for Superexchange

The concepts of bond orbitals and unrestricted Hartree-Fock orbitals are used in an attempt to explain the mechanism of superexchange between magnetic cations via an intermediate anion. The resulting theory predicts the same results as the standard theories when the cation-anion-cation angle is 180°...

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Bibliographic Details
Published in:Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences Mathematical and physical sciences, 1966-03, Vol.291 (1424), p.113-128
Main Author: Halpern, V.
Format: Article
Language:English
Subjects:
Anions
Astrodynamics
Atomic interactions
Atoms
Cations
Electrons
Orbitals
Spinel
Strong nuclear force
Weak nuclear force
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Summary:The concepts of bond orbitals and unrestricted Hartree-Fock orbitals are used in an attempt to explain the mechanism of superexchange between magnetic cations via an intermediate anion. The resulting theory predicts the same results as the standard theories when the cation-anion-cation angle is 180°. For other values of this angle, however, the nature and strength of the interaction depends on the distribution of bonds round the anion and is not solely a function of angle. The theory is applied to compounds having the corundum-ilmenite and spinel structures, where it correlates the magnetic structures and transition temperatures for a number of compounds and enables these properties to be predicted for others.
ISSN:1364-5021
0080-4630
1471-2946
2053-9169
DOI:10.1098/rspa.1966.0083