High-Resolution XPS Dataset for TIHgBr₃ Single Crystalshttps://doi.org/10.48788/DVUA/PIPDMLO.Y. KhyzhunN.M. DenysyukO.O. FoiaDataverseUA2025-12-232025-12-23T12:35:48ZThe obtained X-ray photoelectron spectroscopy (XPS) results provide detailed information on the electron energy distribution, their relationship with the chemical states of atoms, and the electronic structure of the material surface. High-resolution measurements of core-level and valence-band spectra were performed for the TIHgBr₃ single crystal grown using the Bridgman–Stockbarger method. This dataset allows analysis of the chemical composition and electronic structure of the TIHgBr₃ surface, assessment of the stability of elemental chemical states, and investigation of surface properties. The dataset contains experimental XPS data of the pristine surface only, suitable for comparative analysis and modeling of the electronic structure of halide materials. Spectra after Ar⁺-ion irradiation are not included.ChemistryPhysicsOtherhalide semiconductorX-ray photoelectron spectroscopy (XPSSingle crystalValence bandCore levelsElectronic structureChemical stateTIHgBr₃EnglishSingle crystal growth, structure and properties of TlHgBr₃. P. Demchenko, O.Y. Khyzhun, P.M. Fochuk, S.I. Levkovets, G.L. Myronchuk, O.V. Parasyuk/ Optical Materials, Volume 49, November 2015, Pages 94–99. DOI / URL: https://doi.org/10.1016/j.optmat.2015.08.026, doi, 10.1016/j.optmat.2015.08.026, https://doi.org/10.1016/j.optmat.2015.08.026Electronic structure and basic optical constants of TlHgBr₃: Density functional theory calculations. Tuan V. Vu, Anatoliy A. Lavrentyev, Boris V. Gabrelian, Hien D. Tong, Hai L. Luong, Oleg V. Parasyuk, Yuri M. Kogut, Oleg Y. Khyzhun. Optical Materials, Volume 86, December 2018, Pages 191–197. DOI / URL: https://doi.org/10.1016/j.optmat.2018.10.019, doi, 10.1016/j.optmat.2018.10.019, https://doi.org/10.1016/j.optmat.2018.10.0192025-12-23Denysiuk, NataliaUHV ANALYSIS SYSTEM Centre2025-12-152014-02-012014-02-15XPS experiment datasetCC BY 4.0