Valence-band satellite in the ferromagnetic nickel: LDA+DMFT study with exact diagonalization

TL;DR

This study uses LDA+DMFT with exact diagonalization to analyze the valence-band spectrum of ferromagnetic nickel, revealing a spin-polarized satellite around 6 eV below the Fermi level.

Contribution

It introduces a detailed LDA+DMFT approach with exact diagonalization to accurately model the spin-dependent valence-band satellite in nickel.

Findings

The valence-band satellite is strongly spin polarized.

The calculated satellite matches experimental observations.

The method provides detailed insight into nickel's electronic structure.

Abstract

The valence-band spectrum of the ferromagnetic nickel is calculated using the LDA+DMFT method. The auxiliary impurity model emerging in the course of the calculations is discretized and solved with the exact diagonalization, or, more precisely, with the Lanczos method. Particular emphasis is given to spin dependence of the valence-band satellite that is observed around 6 eV below the Fermi level. The calculated satellite is strongly spin polarized in accord with experimental findings.