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VOLUME 96 (2012) | ISSUE 2 | PAGE 123
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\approx3 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.