Surface chemscal states of Cu2HgGeSe4 studied by X-ray photoelectron spectroscopydoi:10.48788/DVUA/DGS7UWDataverseUA2026-08-191Tkach, Vira; O.Y. Khyzhun; N.M. Denysyuk; Luzhnyi Ivan Vasyliovych; Kopylova Kateryna Ihorivna, 2026, "Surface chemscal states of Cu2HgGeSe4 studied by X-ray photoelectron spectroscopy", https://doi.org/10.48788/DVUA/DGS7UW, DataverseUA, V1Surface chemscal states of Cu2HgGeSe4 studied by X-ray photoelectron spectroscopyAn XPS and DFT Studydoi:10.48788/DVUA/DGS7UWTkach, ViraO.Y. KhyzhunN.M. DenysyukLuzhnyi Ivan VasyliovychKopylova Kateryna IhorivnaDepartment 47 of Surface Spectroscopy of Novel Materials, Frantsevich Institute for Problems of Materials ScienceFrantsevych Institute for Problems of Materials Science of NAS of Ukraine2019-09-01Kyiv, UkraineDataverseUATkach Vira AndriyvnaTkach, Vira2026-04-08ChemistryEngineeringPhysicsSemiconductorsX-ray photoelectronic spectraElectronic structureSemiconductorsCondensed Matter PhysicsSurface ScienceThe electronic structure and surface chemical states of a Cu2HgGeSe4 single crystal, grown by the Bridgman–Stockbarger method, were investigated using X-ray photoelectron spectroscopy (XPS) for pristine and Ar+ ion-irradiated surfaces. High-resolution core-level XPS spectra (Cu 2p, Hg 4f, Ge 3d, Se 3d, Se 3p) and valence-band spectra were recorded before and after Ar+ ion sputtering to evaluate the core-level binding energies, chemical state preservation, and structural stability of the Cu2HgGeSe4 surface under ion-beam treatment.2019-08-012019-08-012020-05-01XPS experiment dataset**In-situ Surface Preparation & Ion Etching Regimes:** * Preparation Mode: In-situ ion-beam cleaning with Ar+ ions (Ex-situ: No) * Ion Gun Voltage (V): 3 kV * Etching Current (I): 17 uA * Etching Time (t): 5 min * Etching Pressure (P): 8x10^-6 mbar * Etching Angle (theta): 55 deg **XPS Measurement & Spectrometer Parameters:** * System/Analyzer: UHV-Analysis-System SPECS (Germany), Hemispherical Analyzer PHOIBOS 150 * Excitation Source: Mg K-alpha radiation * Characteristic Energy: 1253.6 eV * Anode Voltage: 10 kV * Emission Current: 100 mA * Source Power: 100 W * Analysis Chamber Pressure: 4x10^-10 mbar * Pass Energy: 30 eV * Energy Range (Binding Energy): 1000 eV to -10 eV * Step Size: 0.1 eV/step * Dwell Time: 0.1 s * Geometry: Source Angle: 45 deg; Source-to-sample plane angle: 55 deg; Analyzer axis take-off polar angle: 90 deg (normal emission relative to sample surface)B.V. Gabrelian, A.A. Lavrentyev, Tuan V. Vu, V.A. Tkach, O.V. Marchuk, K.F. Kalmykova, L.N. Ananchenko, O.V. Parasyuk, O.Y. Khyzhun, Quaternary Cu2HgGeSe4 selenide: Its electronic and optical properties as elucidated from TB-mBJ band-structure calculations and XPS and XES measurements, Chemical Physics, Volume 536, 2020, 110821, ISSN 0301-0104, https://doi.org/10.1016/j.chemphys.2020.110821. (https://www.sciencedirect.com/science/article/pii/S0301010420300021)10.1016/j.chemphys.2020.110821B.V. Gabrelian, A.A. Lavrentyev, Tuan V. Vu, V.A. Tkach, O.V. Marchuk, K.F. Kalmykova, L.N. Ananchenko, O.V. Parasyuk, O.Y. Khyzhun, Quaternary Cu2HgGeSe4 selenide: Its electronic and optical properties as elucidated from TB-mBJ band-structure calculations and XPS and XES measurements, Chemical Physics, Volume 536, 2020, 110821, ISSN 0301-0104, https://doi.org/10.1016/j.chemphys.2020.110821. (https://www.sciencedirect.com/science/article/pii/S0301010420300021)ReadMe_En_Cu2HgGeSe4.txttext/plainCu2HgGeSe4_ Hg_4f.jpgspectral data for Hg 4f electrons (raw surface) image/jpegCu2HgGeSe4_ surv.jpgsurvey XPS-graphimage/jpegCu2HgGeSe4_ VB.jpgvalence band spectres (raw surface)image/jpegCu2HgGeSe4_Cu_2p.jpgspectre of Cu 2p levelimage/jpegCu2HgGeSe4_C_1s.jpgspectre of C 1s levelimage/jpegCu2HgGeSe4_Ge_3d.jpg spectre of Ge 3d levelimage/jpegCu2HgGeSe4_Hg_4d.jpgspectre of Hg 4d levelimage/jpegCu2HgGeSe4_Se_3d.jpgspectre of Se 3d levelimage/jpegCu2HgGeSe4_Se_3p.jpgspectre of Se 3p levelimage/jpegCu2HgGeSe4_ surv.txtsurvey XPS-data for raw surfacetext/plainCu2HgGeSe4_ – VB.txtvalence band spectres (raw surface)text/plainCu2HgGeSe4_Cu_2p.txtspectral data for Cu 2p electrons (raw surface) text/plainCu2HgGeSe4_C_1s.txtspectral data for C 1s electrons (raw surface) text/plainCu2HgGeSe4_Ge_3d.txtspectral data for Ge 3d electrons (raw surface) text/plainCu2HgGeSe4_Hg_4d.txtspectral data for Hg 4f electrons (raw surface) text/plainCu2HgGeSe4_Se_3d.txt spectral data for Se 3d electrons (raw surface) text/plainCu2HgGeSe4_Se_3p.txtspectral data for Se 3p electrons (raw surface) text/plainCu2HgGeSe4__Hg_4f.txt spectre of Hg 4d leveltext/plain