Mi. Katsnelson et Ai. Lichtenstein, LDA++ approach to the electronic structure of magnets: correlation effectsin iron, J PHYS-COND, 11(4), 1999, pp. 1037-1048
A novel approach to the investigation of correlation effects in the electro
nic structure of magnetic crystals which takes into account a frequency dep
endence of the self-energy (the so-called 'LDA++ approach') is developed. T
he fluctuation-exchange approximation is generalized to the spin-polarized
multi-band case and a local version of it is proposed. As an example, we ca
lculate the electronic quasiparticle spectrum of ferromagnetic iron. It is
shown that the Fermi-liquid description of the bands near the Fermi level i
s reasonable, while the quasiparticle states beyond approximately the 1 eV
range are strongly damped, in agreement with photoemission data. The result
of the spin-polarized thermoemission experiment is explained satisfactoril
y. The problem of satellite structure is discussed.