The electronic structure and superexchange interactions in transition metal compounds
Zaanen, J.; Sawatzky, G. A.
Canadian Journal of Physics (1987), 65(10), 1262-71
CODEN: CJPHAD; ISSN: 0008-4204. English.
The electronic structure of transition-metal compds. is discussed in light of a new theor. approach using an Anderson impurity Hamiltonian. Conclusions are given concerning the magnitude of parameters such as the d-d Coulomb interaction (U) and the charge-transfer energy (.DELTA.) for the transition-metal monoxides, based on theor. calcns. of the band gaps, the optical spectra, photoelectron and inverse-photoelectron spectral shapes, and comparison with experiment Both .DELTA. and U are large but comparable in magnitude. The implications are discussed for superexchange interactions and the observed trends in the Neel temps. are described, whereas the traditional Anderson approach gave a qual. different trend.
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