Spectral properties of LiFeAs: an LDA+DMFT study
S. L. Skornyakov+*, D. Y. Novoselov+, T. Gürel×, V. I. Anisimov+*
+Institute of Metal Physics UD RAS, 620990 Yekaterinburg, Russia
*Ural Federal University, 620002 Yekaterinburg, Russia
×Department of Physics, Namik Kemal University, 59030 Tekirdag, Turkey
Abstract
Spectral properties of LiFeAs superconductor
are investigated within the LDA+DMFT
method. Calculated
distribution of the spectral weight in the k-space
is in good agreement with angle-resolved
photoemission (ARPES) spectra. Calculated effective electron mass enhancement factor
is close to the one estimated from comparison of density-functional
theory results with ARPES spectra.
Our results demonstrate that inclusion into consideration of dynamical Coulomb
correlations between
the electrons plays a key role in understanding of the spectral properties of LiFeAs.