Evidence of Strong Electron Correlations in Gamma-Iron

Abstract

Single-particle excitation spectra of gamma-Fe in the paramagnetic state have been investigated by means of the first-principles dynamical coherent potential approximation theory which has recently been developed. It is found that the central peak in the density of states consisting of the t2g bands is destroyed by electron correlations, and the Mott-Hubbard type correlated bands appear. The results indicate that the gamma-Fe can behave as correlated electrons at high temperatures.