Spectral and magnetic properties of alpha- and gamma-Ce from dynamical mean-field theory and local density approximation.
We present excitation spectra for Ce metal obtained with an ab initio scheme combining local density approximation and dynamical mean-field theory including itinerant spd and correlated f states. The local interactions among the f electrons lead to typical many-body resonances in the f density of states (DOS), such as lower and upper Hubbard bands and the Kondo resonance. The spd DOS show weak renormalization effects due to hybridization. We observe different Kondo temperatures for alpha- and gamma-Ce due to strong volume dependence of the effective hybridization strength for the localized f electrons. Finally we compare our results with a variety of experimental data.
Zölfl
M B
MB
Institut für Theoretische Physik I, Universität Regensburg, Universitätsstrasse 31, 93053 Regensburg, Germany.
Nekrasov
I A
IA
Pruschke
T
T
Anisimov
V I
VI
Keller
J
J