Spectral properties of LiFeAs: An LDA+DMFT study

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 m*/m ≈ 3 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. © 2012 Pleiades Publishing, Ltd.