10.48788/DVUA/EHLZITTkach, ViraViraTkach0000-0002-2403-8607Frantsevich Institute for Problems of Materials Science of NAS of UkraineO.Y. Khyzhun0000-0001-6727-643XFrantsevich Institute for Problems of Materials Science of NAS of UkraineN.M. Denysіuk0000-0002-0492-1945Frantsevich Institute for Problems of Materials Science of NAS of UkraineLuzhnyi Ivan VasyliovychIvanyi Ivan Vasyliovych0000-0003-3809-7517Frantsevich Institute for Problems of Materials Science of NAS of UkraineKopylova Kateryna IhorivnaKaterynaKateryna Ihorivna0000-0001-6796-390XFrantsevich Institute for Problems of Materials Science of NAS of UkraineDataverseUA2026ChemistryEngineeringPhysicsSemiconductorsX-ray photoelectron spectroscopyElectronic structureQuaternary chalcogenideCore-level spectraCondensed matter physicsSemiconductorTkach, ViraViraTkachFrantsevich Institute for Problems of Materials Science of NAS of UkraineFrantsevych Institute for Problems of Materials Science of NAS of UkraineN.A.S. of UkraineUHV ANALYSIS SYSTEM Centre, Department No. 47 of Surface Spectroscopy of Novel Materials, Frantsevich Institute for Problems of Materials Science of NAS of UkraineDataverseUANational Academy of Sciences of Ukraine2026-08-222026-08-25XPS experiment dataset10.1016/j.optmat.2013.11.0251368100512966385813238867230429043029309923909100107737764210125771210110327567267730198303448004660101995313154540036595102application/octet-streamtext/plaintext/plaintext/plaintext/plainimage/jpegtext/plaintext/plainimage/jpegtext/plainimage/jpegtext/plaintext/plaintext/plaintext/plainimage/jpegtext/plaintext/plainimage/jpegtext/plaintext/plainimage/jpegtext/plaintext/markdownapplication/jsonapplication/json1.1CC BY 4.0This dataset contains survey, high-resolution core-level, and valence-band X-ray photoelectron spectroscopy (XPS) data obtained from the pristine surface of a TlPb2Br5 single crystal grown by the Bridgman–Stockbarger technique. The deposited files cover the Tl-4f, Pb-4f, and Br-3d core levels together with the valence-band region and include both numerical spectral data and corresponding graphical representations. The data can be used to examine the elemental composition, core-level electronic states, and valence electronic structure of the untreated TlPb2Br5 single-crystal surface. All deposited spectra correspond to the pristine surface.Sample information: Material: TlPb2Br5 single crystal Crystal-growth method: Bridgman–Stockbarger technique Surface condition: pristine Deposited spectral regions: survey, Tl 4f, Pb 4f, Br 3d, and valence band XPS measurement parameters: System: SPECS UHV-Analysis-System, Germany Electron energy analyzer: PHOIBOS 150 hemispherical analyzer Excitation source: Mg K-alpha radiation Photon energy: 1253.6 eV Anode voltage: 10 kV Emission current: 10 mA X-ray source power: 100 W Analyzer pass energy: 30 eV Analysis chamber pressure: approximately 4 × 10^-10 mbar Binding-energy range: 1000 to -10 eV Energy step: 0.1 eV Dwell time: 0.1 s Source angle: 45° Source-to-sample-plane angle: 55° Analyzer take-off angle: 90° relative to the sample surface (normal emission) The spectrometer energy scale was calibrated using the Au 4f7/2 and Cu 2p3/2 lines of pure gold and copper reference samples at binding energies of 84.00 ± 0.05 eV and 932.66 ± 0.05 eV, respectively. Charging-related energy shifts were corrected using the C 1s line of adventitious hydrocarbon contamination. Samples were mounted on a molybdenum sample holder.Kyiv, UkraineNational Academy of Sciences of Ukraine