Calculation of density of states of transition metals: from bulk sample to nanocluster

TL;DR

This paper introduces a stochastic method to reconstruct the electronic density of states from X-ray photoelectron spectra, applied to bulk gold and tantalum nanoclusters, aiding analysis of low-dimensional metal structures.

Contribution

A novel stochastic technique for restoring the density of states from photoelectron spectra, applicable to bulk and nanostructured metals.

Findings

Successfully applied to gold bulk samples

Demonstrated applicability to tantalum nanoclusters

Potential for analyzing low-dimensional metal structures

Abstract

The technique is presented of restoring the electronic density of states of the valence band from data of X-ray photoelectron spectroscopy. The originality of the technique consists in using a stochastic procedure to solve an integral equation relating the density of states and the experimental X-ray photoelectron spectra. The results are presented for bulk sample of gold and nanoclusters of tantalum; the possibility of using the results to determine the density of states of low-dimensional structures, including ensembles of metal nanoclusters, is demonstrated.