{"@context":"http://schema.org","@type":"Dataset","@id":"https://doi.org/10.48788/DVUA/JSPAOF","identifier":"https://doi.org/10.48788/DVUA/JSPAOF","name":"Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations","creator":[{"@type":"Person","givenName":"Vira","familyName":"Tkach","affiliation":{"@type":"Organization","name":"Frantsevich Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0002-2403-8607","@id":"https://orcid.org/0000-0002-2403-8607","identifier":"https://orcid.org/0000-0002-2403-8607","name":"Tkach, Vira"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevich Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0001-6727-643X","@id":"https://orcid.org/0000-0001-6727-643X","identifier":"https://orcid.org/0000-0001-6727-643X","name":"O.Y. 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Khyzhun"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevich Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0002-0492-1945","@id":"https://orcid.org/0000-0002-0492-1945","identifier":"https://orcid.org/0000-0002-0492-1945","name":"N.M. Denysіuk"},{"@type":"Person","givenName":"Ivan","familyName":"yi Ivan Vasyliovych","affiliation":{"@type":"Organization","name":"Frantsevich Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0003-3809-7517","@id":"https://orcid.org/0000-0003-3809-7517","identifier":"https://orcid.org/0000-0003-3809-7517","name":"Luzhnyi Ivan Vasyliovych"}],"datePublished":"2026-08-24","dateModified":"2026-08-24","version":"1","description":"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.","keywords":["Chemistry","Engineering","Physics","Condensed matter physics","Surface science","Semiconductor","X-ray photoelectron spectroscopy (XPS)","Semiconductors","Electronic structure","Cs2HgI4","Ternary halide semiconductor","Core-level photoelectron spectra","Valence band density of states","Ion sputtering effect"],"citation":[{"@type":"CreativeWork","name":"Lavrentyev, A.A., Gabrelian, B.V., Vu, V.T., Parasyuk, O.V., Fedorchuk, A.O., and Khyzhun, O.Y. (2015). 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