ELECTRONIC QUASI-PARTICLE STRUCTURE OF FERROMAGNETIC BCC IRON

Citation
W. Nolting et al., ELECTRONIC QUASI-PARTICLE STRUCTURE OF FERROMAGNETIC BCC IRON, Zeitschrift fur Physik. B, Condensed matter, 96(3), 1995, pp. 357-372
Citations number
67
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
07223277
Volume
96
Issue
3
Year of publication
1995
Pages
357 - 372
Database
ISI
SICI code
0722-3277(1995)96:3<357:EQSOFB>2.0.ZU;2-E
Abstract
We investigate the influence of electron correlations on the temperatu re-dependence of the electronic structure of ferromagnetic bcc iron by use of a many-body evaluation of a generalized model of magnetism. Th e single-particle part of the model-Hamiltonian is taken from an LDA b and structure calculation. The many-body interactions are described by only two parameters, an intraband Coulomb interaction U and an interb and exchange J. With U = 1.8 eV and J = 0.2 eV the self-consistent mod el solution yields a T = 0 moment of about 2.04 mu(B) and a Curie-temp erature of 1044 K. Details of the magnetic behaviour of Fe can be trac ed back to a striking temperature variation of the quasiparticle densi ty of states. A novel explanation for the experimentally-observed non- collapsing exchange splitting is demonstrated in terms of the temperat ure-dependent spectral density for wave-vectors near the GAMMA-point. Typical differences in the magnetic behaviour of Fe and Ni are worked out.