Abstract
Using the SCF-Xα-SW method calculations of the electronic structure of the complexes (Yb O8Fe2)7- and (Yb O8Ga2)7- have been carried out. Results show that there is preferential transfer of charge from the rare-earth and ferric ions onto those oxygen ligands which are found experimentally to form the dominant superexchange paths between the ions.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
K.H. Johnson, Journal of Chemical Physics 45, 3085 (1966).
K.H. Johnson and F.C. Smith, Physical Review B5, 831 (1972).
K.H. Johnson, Advances in Quantum Chemistry 7, 143 (1973).
J.C. Slater and K.H. Johnson, Physical Review B5, 844 (1973).
J.C. Slater, Advances in Quantum Chemistry 6, 1 (1972).
J.C. Slater, The Self Consistent Field for Molecules and Solids, Vol. 4, Quantum Theory of Molecules and Solids (McGraw Hill, New York, 1974 ).
International Tables of X-ray Crystallography (Kynoch Press: Birmingham 1952).
F. Euler and D. Bruce, Acta Crystallographic 19, 971 (1965).
I. Nowick and S. Ofer, Physical Review 153, 409 (1967).
G.M. Copland, Chemical Physics Letters 7, 175 (1970).
K. Schwartz, Physical Review B5, 2466 (1972).
K. Schwartz, Theoretica Chimica Acta 34, 225 (1974).
R.E. Watson, Physical Review 111, 1108 (1958).
Velichy and Veltrichy.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1981 Springer Science+Business Media New York
About this chapter
Cite this chapter
Graf, C.J.F., Copland, G.M. (1981). The Electronic Structure of the Rare-Earth Iron Garnets and Rare-Earth Gallium Garnets as Calculated by the SC-Xα-SW Method. In: Devreese, J.T., Lemmens, L.F., van Doren, V.E., van Royen, J. (eds) Recent Developments in Condensed Matter Physics. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-3902-1_43
Download citation
DOI: https://doi.org/10.1007/978-1-4684-3902-1_43
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4684-3904-5
Online ISBN: 978-1-4684-3902-1
eBook Packages: Springer Book Archive