W. Nolting et A. Vega, TEMPERATURE-DEPENDENT ELECTRONIC-STRUCTURE AND FERROMAGNETISM OF BCC IRON, Journal of applied physics, 76(10), 1994, pp. 6691-6693
The influence of electron correlations on the temperature dependence o
f the electronic structure of ferromagnetic bcc iron is investigated b
y the use of a many-body evaluation of a generalized model of magnetis
m. The one-particle part of the model Hamiltonian is taken from a LDA
band-structure calculation. The model contains only two parameters, an
intraband Coulomb interaction U, and an interband exchange J. With 1.
8 eV and J=0.2 ev the self-consistent model solution yields a T=0 mome
nt of about 2.04 mu(B) and an exact curie temperature of 1044 K. Detai
ls of the magnetic behavior of Fe can be traced back to a striking tem
perature variation of the quasiparticle density of states. Typical dif
ferneces in the magnetic behavior of Fe can be traced back to a striki
ng temperature variation of the quasiparticle density of states. Typic
al differences in the magnetic behavior of Fe and Ni are worked out.