10.48788/DVUA/PIPDMLO.Y. Khyzhun0000-0002-2403-8607Frantsevych Institute for Problems of Materials Science of NAS of UkraineN.M. Denysyuk0000-0002-0492-1945Frantsevych Institute for Problems of Materials Science of NAS of UkraineO.O. Foia0009-0005-0814-5911Frantsevych Institute for Problems of Materials Science of NAS of UkraineDataverseUA2025ChemistryPhysicsOtherhalide semiconductorX-ray photoelectron spectroscopy (XPSSingle crystalValence bandCore levelsElectronic structureChemical stateTIHgBr₃Physical SciencesMaterials ScienceN.M. DenysyukFrantsevych Institute for Problems of Materials Science of NAS of UkraineUHV ANALYSIS SYSTEM Centre2025-12-152025-12-232014-02-01/2014-02-15XPS experiment dataset10.1016/j.optmat.2015.08.02610.1016/j.optmat.2018.10.01976711322464767090568705236516240324057719085622679100297033275892629866439292872112023text/plaintext/markdownimage/jpegtext/plainimage/jpegtext/plainimage/jpegtext/plainimage/jpegimage/jpegtext/plainimage/jpegtext/plainimage/jpegtext/plainimage/jpegtext/plain1.0CC BY 4.0The 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.Preparation, etching regimes I (etching current) 17 A; V (etching voltage) 3 kV; t (etching time) 5 min; P (etching pressure) 8x10-6 mbar; theta (etching angle) 55; Preparation Ex-situ No; Preparation In-situ Ion beam cleaned with 3 kV Ar ions. Analysis source characteristic energy 1253.6 eV; analysis source power (power) 100 W; analysis source strength (emission current) 100 mA; analysis source strength; (anode voltage) 10 kV; analysis pass energy 30 eV; analysis chamber pressure 4x10-10 mbar; start energy (Kinetic Energy) Spectrum start kinetic energy; end energy (Kinetic Energy) Spectrum end kinetic energy; start energy (Binding Energy) 1000; end energy (Binding Energy) -10 eV; eV per step 0.1; Dwell time 0.1; Source Angle 45; Analyzer axis take off polar; angle 90 deg; the angle of inclination of the source to the plane of the sample at measurements of 55 degUkraine, KyivСинтез та дослідження особливостей електронної будови нанорозмірних карбідних, нітридних, оксидних фаз, а також високопористих вуглецевих матеріалів0111U002435NAS of UkraineThis work was partially supported by the Polish National Science Centre, Project No. 2011/01/B/ST7/06194.