Work

Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

Year: 2026

Type: dataset

Abstract: Experimental X-ray photoelectron spectroscopy (XPS) dataset collected for a Cs2HgI4 single crystal synthesized via the vertical Bridgman–Stockbarger method. The dataset encompasses wide-range survey energy scans, high-resolution core-level regions (Cs 3d, Hg 4f, and I 3d), as well as low-binding-energy valence-band spectra. Measurements were conducted both on the pristine surface (cleaved in ultra-high vacuum) and following surface bombardment with low-energy Ar+ ions. The deposited files include digitized numerical spectral curves and high-quality vector plots suitable for analyzing chemical states, stoichiometry, and electronic density of states.

Source: Kyiv Academic University

DOI: 10.48788/dvua/jspaof

Authors: Tkach, Vira, O.Y. Khyzhun, N.M. Denysіuk, Luzhnyi Ivan Vasyliovych

Institution: Frantsevich Institute for Problems in Materials Science

Language: English

Topic: Electron and X-Ray Spectroscopy Techniques

Subfield: Surfaces, Coatings and Films

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7204123906

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