Analysis of Ag2HgSnS4 Compound by X-ray photoelectron spectroscopy

Version 1.1
Analysis of Ag2HgSnS4 Compound by X-ray photoelectron spectroscopy
Tkach, Vira; O.Y. Khyzhun; N.M. Denysіuk; Kopylova Kateryna Ihorivna, 2026, "Analysis of Ag2HgSnS4 Compound by X-ray photoelectron spectroscopy", https://doi.org/10.48788/DVUA/U6JWSR, DataverseUA, V1
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Description
This dataset contains survey, high-resolution core-level, and valence-band X-ray photoelectron spectroscopy (XPS) data obtained from the pristine surface of an Ag2HgSnS4 single crystal grown by the Bridgman–Stockbarger technique. The deposited files cover the Ag 3d, Hg 4f, Sn 3d, and S 2p 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 Ag2HgSnS4 single-crystal surface. All deposited spectra correspond to the pristine surface. (2026-07-11)
Subject Chemistry; Engineering; Physics
Keyword Semiconductors, X-ray photoelectron spectroscopy, Electronic structure, Ag2HgSnS4, Quaternary chalcogenide, Core-level spectra, Valence-band spectrum, Surface composition
Related Publication Bozhko, V.V., Tretyak, A.P., Parasyuk, O.V., Ocheretova, V.A., and Khyzhun, O.Y. (2014). Electronic structure of non-centrosymmetric Ag2HgSnS4 single crystal. Optical Materials, 36(5), 977–981. https://doi.org/10.1016/j.optmat.2014.01.005 doi: 10.1016/j.optmat.2014.01.005
Notes Sample information: Material: Ag2HgSnS4 single crystal Crystal-growth method: Bridgman–Stockbarger technique Surface condition: pristine Deposited spectral regions: survey, Ag 3d, Hg 4f, Sn 3d, S 2p, 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.
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CITATION.cff
Unknown - 1.5 KB
Published Aug 24, 2026
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MD5: c138b994870d61d80aabe1137b98d4f4
Machine-readable citation metadata for the dataset in Citation File Format 1.2.0.
data_dictionary.md
Markdown Text - 3.8 KB
Published Aug 24, 2026
2 Downloads
MD5: 052b1970aaa0d862a52346603271ac01
Data dictionary for the numerical Ag2HgSnS4 XPS spectra. The file defines the column names, physical quantities, units, tab delimiter, decimal-comma notation, data types, spectral regions, surface condition, and recommendations for importing and interpreting the deposited plain-text files.
LICENSE.txt
Plain Text - 1005 B
Published Aug 24, 2026
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MD5: 98e3c240264872e31533460f949c527c
Creative Commons Attribution 4.0 International license notice and recommended attribution.
manifest.json
JSON - 4.0 KB
Published Aug 24, 2026
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MD5: 4f35d1e9080298cad92d7d94496e0579
Machine-readable inventory of all files in the deposited data package and the relationships between numerical spectra and derived images.
ReadMe.txt
Plain Text - 11.5 KB
Published Aug 24, 2026
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MD5: e02f03798bf01c9309acf66f27b18fa9
Dataset-level documentation, methodological information, file inventory, and reuse guidance.
xps.json
JSON - 5.8 KB
Published Aug 24, 2026
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MD5: 9e096d83a21bc97df029bbb3656c4604
Machine-readable metadata describing the sample, XPS instrument, excitation source, acquisition parameters, measurement geometry, calibration, processing, spectral regions, related publication, and license.
Ag2HgSnS4_Ag_3d.jpg
Ag2HgSnS4_Ag_3d.jpg
image/JPEG Image - 713.2 KB
Published Aug 24, 2026
1 Download
MD5: 42cf476628b65865928494cc53223f26
spectrum of Ag 3d level
Ag2HgSnS4_Hg_4f.jpg
Ag2HgSnS4_Hg_4f.jpg
image/JPEG Image - 749.3 KB
Published Aug 24, 2026
1 Download
MD5: dffadd97749860acbc18b5194d7538f3
spectrum of Hg 4f level
Ag2HgSnS4_Sn_3d.jpg
Ag2HgSnS4_Sn_3d.jpg
image/JPEG Image - 763.9 KB
Published Aug 24, 2026
1 Download
MD5: 85cf33b86d164c2c4d5b90db1afe21e9
spectrum of Sn 3d level
Ag2HgSnS4_surv.jpg
Ag2HgSnS4_surv.jpg
image/JPEG Image - 939.7 KB
Published Aug 24, 2026
1 Download
MD5: f65710ed22371644e59259278a3e91b9
survey XPS-graph
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