ON-SITE CORRELATION IN VALENCE AND CORE STATES OF FERROMAGNETIC NICKEL

Citation
F. Manghi et al., ON-SITE CORRELATION IN VALENCE AND CORE STATES OF FERROMAGNETIC NICKEL, Physical review. B, Condensed matter, 56(12), 1997, pp. 7149-7161
Citations number
31
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
56
Issue
12
Year of publication
1997
Pages
7149 - 7161
Database
ISI
SICI code
0163-1829(1997)56:12<7149:OCIVAC>2.0.ZU;2-6
Abstract
We present a method which allows us to include narrow-band correlation effects in the description of both valence and core states and we app ly it to the prototypical case of nickel. The results of an ab initio band calculation are used as input mean-field eigenstates for the calc ulation of self-energy corrections and spectral functions according to a three-body scattering solution of a multiorbital Hubbard Hamiltonia n. The calculated quasiparticle spectra show a remarkable agreement wi th photoemission data in terms of bandwidth, exchange splitting, satel lite energy position of valence states, and spin polarization of both the main line and the satellite of the 3p core level.