Band calculations for 4f systems based on the dynamical mean field theory
Abstract
Recent band calculations for Ce compounds based on the dynamical mean field theory (DMFT) are reported. The auxiliary impurity problem has been solved by a method named NCAf2vc, which includes the correct exchange process of the \mathrm {f^{1} \rightarrow
f^{0},f^{2}} virtual excitation, the crystalline field splitting (CFS), and the spin-orbit interaction (SOI) of the self-energy. These are necessary features in the quantitative band theory for Ce compounds. The results of applications on Ce metal and Ce-monopnictides are presented.- Publication:
-
Journal of Physics Condensed Matter
- Pub Date:
- September 2007
- DOI:
- 10.1088/0953-8984/19/36/365213
- Bibcode:
- 2007JPCM...19J5213S