Work

Ab initio X-ray near-edge spectroscopy of sodium-based multi-alkali antimonides

Year: 2025

Type: article

Abstract: -edge, providing useful indications for their identification in complex samples. By comparing BSE spectra against their counterparts obtained in the independent-particle approximation, we address the role of excitonic effects, highlighting their influence on the near-edge features, especially for excitations from the alkali metals. Our findings offer a useful theoretical benchmark for the characterization and diagnostics of sodium-based MAA photocathodes, complementing experiments on resolved polymorphs and providing the spectral fingerprints of computationally predicted phases that could emerge in polycrystalline samples.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d5cp01742d

Authors: Chung Xu, Richard Schier, Caterina Cocchi

Institutions: Carl von Ossietzky Universität Oldenburg, University of Warwick, Friedrich Schiller University Jena

Language: English

Topic: Electron and X-Ray Spectroscopy Techniques

Subfield: Surfaces, Coatings and Films

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid