Evidence of Strong Electron Correlations in Gamma-Iron

TL;DR

This study uses advanced first-principles theory to show that gamma-iron exhibits strong electron correlations, with Mott-Hubbard bands emerging and the central peak being suppressed, indicating correlated electron behavior at high temperatures.

Contribution

It demonstrates the application of dynamical coherent potential approximation to gamma-iron, revealing strong electron correlation effects and Mott-Hubbard band formation.

Findings

Suppression of the central peak in the density of states.

Emergence of Mott-Hubbard type correlated bands.

Gamma-Fe exhibits correlated electron behavior at high temperatures.

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.