Correlations in the Electronic Structure of van der Waals NiPS3 Crystals: An X-ray Absorption and Resonant Photoelectron Spectroscopy Study

• DOI: 10.1021/acs.jpclett.1c00394
• Publication Date: 2021-03-04T14:32:05Z
• Authors: Mouhui Yan; Yichen Jin; Zhicheng Wu; Arshak Tsaturyan; Anna Makarova; Dmitry Smirnov; Elena Voloshina; Yuriy Dedkov
• Keywords: XANES; Electron spectroscopy

The electronic structure of high-quality van der Waals NiPS$_3$ crystals was studied using near-edge x-ray absorption spectroscopy (NEXAFS) and resonant photoelectron (ResPES) in combination with density functional theory (DFT) approach. experimental spectroscopic methods, being element specific, allow to discriminate between atomic contributions the valence conduction band states give direct comparison results DFT calculations. Analysis NEXAFS ResPES data allows identify material as a charge-transfer insulator. Obtained theoretical are very important for consideration possible correlated-electron phenomena such transition-metal layered materials, where interplay different degrees freedom electrons defines their properties, allowing understand optical transport properties propose further applications electronics, spintronics catalysis.