High-Resolution XPS Dataset for TIHgBr₃ Single Crystalsdoi:10.48788/DVUA/PIPDMLDataverseUA2025-12-231O.Y. Khyzhun; N.M. Denysyuk; O.O. Foia, 2025, "High-Resolution XPS Dataset for TIHgBr₃ Single Crystals", https://doi.org/10.48788/DVUA/PIPDML, DataverseUA, V1High-Resolution XPS Dataset for TIHgBr₃ Single Crystalsdoi:10.48788/DVUA/PIPDMLO.Y. KhyzhunN.M. DenysyukO.O. FoiaUHV ANALYSIS SYSTEM CentreUkraine, Kyiv0111U0024350111U0024350111U002435DataverseUAN.M. DenysyukDenysiuk, Natalia2025-12-15ChemistryPhysicsOtherhalide semiconductorX-ray photoelectron spectroscopy (XPSSingle crystalValence bandCore levelsElectronic structureChemical stateTIHgBr₃Physical SciencesMaterials ScienceThe 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.2014-02-012014-02-15XPS experiment datasetPreparation, 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 degSingle 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.2015.08.02610.1016/j.optmat.2015.08.026Single 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.2015.08.026Electronic 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.2018.10.01910.1016/j.optmat.2018.10.019Electronic 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.2018.10.0190_ReadMe_EN_TlHgBr3.txtdirectory content information (English)text/plain0_ReadMe_UA_TlHgBr3.mddirectory content information (Ukrainian)text/markdownTlHgBr3_Br_3d.txtdata for Br 3d electrons of the pristine surfacetext/plainTlHgBr3_Br_3p.txtdata for Br 3p electrons of the pristine surfacetext/plainTlHgBr3_C_1s.txtdata for C 1s electrons of the pristine surfacetext/plainTlHgBr3_surv.txtgeneral survey data for the pristine surfacetext/plainTlHgBr3_Tl_4d_Hg_4d.txtdata for Tl/Hg 4d electrons of the pristine surfacetext/plainTlHgBr3_Tl_4f_Hg_4f.txtdata for Tl/Hg 4f electrons of the pristine surfacetext/plainTlHgBr3_VB.txtvalence band electron data of the pristine surfacetext/plainTlHgBr3_Br_3d.jpgplot for Br 3d electrons of the pristine surfaceimage/jpegTlHgBr3_Br_3p.jpgplot for Br 3p electrons of the pristine surfaceimage/jpegTlHgBr3_C_1s.jpgplot for C 1s electrons of the pristine surfaceimage/jpegTlHgBr3_Hg_4d_Tl_4d.jpgplot for 4d electrons of the pristine surfaceimage/jpegTlHgBr3_Hg_4f.jpgplot for Hg 4f electrons of the pristine surfaceimage/jpegTlHgBr3_surv.jpgsurvey plot of the pristine surfaceimage/jpegTlHgBr3_Tl_4f.jpg plot for 4f electrons of the pristine surfaceimage/jpegTlHgBr3_Tl_5d.jpgplot for Tl 5d electrons of the pristine surfaceimage/jpeg