Surface chemscal states of Cu2HgGeSe4 studied by X-ray photoelectron spectroscopy (doi:10.48788/DVUA/DGS7UW)

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Surface chemscal states of Cu2HgGeSe4 studied by X-ray photoelectron spectroscopy

doi:10.48788/DVUA/DGS7UW

DataverseUA

2026-08-19

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Tkach, 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, V1

Surface chemscal states of Cu2HgGeSe4 studied by X-ray photoelectron spectroscopy

An XPS and DFT Study

doi:10.48788/DVUA/DGS7UW

Tkach, Vira (Frantsevich Institute for Problems of Materials Science of NAS of Ukraine)

O.Y. Khyzhun (Frantsevich Institute for Problems of Materials Science of NAS of Ukraine)

N.M. Denysyuk (Frantsevich Institute for Problems of Materials Science of NAS of Ukraine)

Luzhnyi Ivan Vasyliovych (Frantsevich Institute for Problems of Materials Science of NAS of Ukraine)

Kopylova Kateryna Ihorivna (Frantsevich Institute for Problems of Materials Science of NAS of Ukraine)

Department 47 of Surface Spectroscopy of Novel Materials, Frantsevich Institute for Problems of Materials Science

Frantsevych Institute for Problems of Materials Science of NAS of Ukraine

2019-09-01

DataverseUA

Tkach Vira Andriyvna

Tkach, Vira

2026-04-08

https://doi.org/10.48788/DVUA/DGS7UW

Chemistry, Engineering, Physics, Semiconductors, X-ray photoelectronic spectra, Electronic structure

Semiconductors, Condensed Matter Physics, Surface Science

The 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.

2019-08-01-

2019-08-01-2020-05-01

XPS 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.2020.110821

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)

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ReadMe_En_Cu2HgGeSe4.txt

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Cu2HgGeSe4_ Hg_4f.jpg

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spectral data for Hg 4f electrons (raw surface)

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Cu2HgGeSe4_ surv.jpg

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survey XPS-graph

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Cu2HgGeSe4_ VB.jpg

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valence band spectres (raw surface)

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Cu2HgGeSe4_Cu_2p.jpg

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spectre of Cu 2p level

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Cu2HgGeSe4_C_1s.jpg

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spectre of C 1s level

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Cu2HgGeSe4_Ge_3d.jpg

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spectre of Ge 3d level

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Cu2HgGeSe4_Hg_4d.jpg

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spectre of Hg 4d level

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Cu2HgGeSe4_Se_3d.jpg

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spectre of Se 3d level

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Cu2HgGeSe4_Se_3p.jpg

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spectre of Se 3p level

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Cu2HgGeSe4_ surv.txt

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survey XPS-data for raw surface

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Cu2HgGeSe4_ – VB.txt

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valence band spectres (raw surface)

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Cu2HgGeSe4_Cu_2p.txt

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spectral data for Cu 2p electrons (raw surface)

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Cu2HgGeSe4_C_1s.txt

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spectral data for C 1s electrons (raw surface)

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Cu2HgGeSe4_Ge_3d.txt

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spectral data for Ge 3d electrons (raw surface)

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Cu2HgGeSe4_Hg_4d.txt

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spectral data for Hg 4f electrons (raw surface)

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Cu2HgGeSe4_Se_3d.txt

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spectral data for Se 3d electrons (raw surface)

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Cu2HgGeSe4_Se_3p.txt

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spectral data for Se 3p electrons (raw surface)

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Cu2HgGeSe4__Hg_4f.txt

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spectre of Hg 4d level

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