Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations
Experimental X-ray photoelectron spectroscopy (XPS) dataset collected for a Cs2HgI4 single crystal synthesized via the vertical Bridgman–Stockbarger method. The dataset encompasses wide-range survey energy scans, high-resolution core-level regions (Cs 3d, Hg 4f, and I 3d), as well as low-binding-ene...
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| Date: | 2014 |
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| Main Authors: | , , , |
| Format: | Data |
| Language: | English |
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2014
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| Online Access: | https://doi.org/10.48788/DVUA/JSPAOF |
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| Journal Title: | Open Data Repository of the National Academy of Sciences of Ukraine |
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Open Data Repository of the National Academy of Sciences of Ukraine| _version_ | 1874545619854426112 |
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| author | Tkach, Vira O.Y. Khyzhun N.M. Denysіuk Luzhnyi Ivan Vasyliovych |
| author2 | Tkach, Vira |
| author_facet | Tkach, Vira Tkach, Vira O.Y. Khyzhun N.M. Denysіuk Luzhnyi Ivan Vasyliovych |
| author_sort | Tkach, Vira |
| collection | DSpace |
| description | Experimental X-ray photoelectron spectroscopy (XPS) dataset collected for a Cs2HgI4 single crystal synthesized via the vertical Bridgman–Stockbarger method. The dataset encompasses wide-range survey energy scans, high-resolution core-level regions (Cs 3d, Hg 4f, and I 3d), as well as low-binding-energy valence-band spectra. Measurements were conducted both on the pristine surface (cleaved in ultra-high vacuum) and following surface bombardment with low-energy Ar+ ions. The deposited files include digitized numerical spectral curves and high-quality vector plots suitable for analyzing chemical states, stoichiometry, and electronic density of states. |
| first_indexed | 2026-08-26T01:00:12Z |
| format | Data |
| id | doi-10-48788-DVUA-JSPAOF |
| institution | Open Data Repository of the National Academy of Sciences of Ukraine |
| language | English |
| last_indexed | 2026-08-26T01:00:12Z |
| publishDate | 2014 |
| publisher | DataverseUA |
| record_format | dspace |
| spelling | doi-10-48788-DVUA-JSPAOF2026-08-25T02:00:01ZElectronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculationshttps://doi.org/10.48788/DVUA/JSPAOFTkach, ViraO.Y. KhyzhunN.M. DenysіukLuzhnyi Ivan VasyliovychDataverseUAExperimental X-ray photoelectron spectroscopy (XPS) dataset collected for a Cs2HgI4 single crystal synthesized via the vertical Bridgman–Stockbarger method. The dataset encompasses wide-range survey energy scans, high-resolution core-level regions (Cs 3d, Hg 4f, and I 3d), as well as low-binding-energy valence-band spectra. Measurements were conducted both on the pristine surface (cleaved in ultra-high vacuum) and following surface bombardment with low-energy Ar+ ions. The deposited files include digitized numerical spectral curves and high-quality vector plots suitable for analyzing chemical states, stoichiometry, and electronic density of states.ChemistryEngineeringPhysicsX-ray photoelectron spectroscopy (XPS)SemiconductorsElectronic structureCs2HgI4Ternary halide semiconductorCore-level photoelectron spectraValence band density of statesIon sputtering effecten2014-11-20Tkach, ViraUHV ANALYSIS SYSTEM Centre, Department No. 47 of Surface Spectroscopy of Novel Materials, Frantsevich Institute for Problems of Materials Science of NAS of UkraineDataPrimary experimental XPS spectra (survey, Cs 3d, Hg 4f, I 3d core levels, and valence band) recorded for pristine and ion-etched Cs2HgI4 single crystal surfaces using a SPECS UHV system equipped with a PHOIBOS 150 analyzer. |
| spellingShingle | Chemistry Engineering Physics X-ray photoelectron spectroscopy (XPS) Semiconductors Electronic structure Cs2HgI4 Ternary halide semiconductor Core-level photoelectron spectra Valence band density of states Ion sputtering effect Tkach, Vira O.Y. Khyzhun N.M. Denysіuk Luzhnyi Ivan Vasyliovych Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations |
| title | Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations |
| title_full | Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations |
| title_fullStr | Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations |
| title_full_unstemmed | Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations |
| title_short | Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations |
| title_sort | electronic structure and optical properties of cs2hgi4 experimental study and band structure dft calculations |
| topic | Chemistry Engineering Physics X-ray photoelectron spectroscopy (XPS) Semiconductors Electronic structure Cs2HgI4 Ternary halide semiconductor Core-level photoelectron spectra Valence band density of states Ion sputtering effect |
| url | https://doi.org/10.48788/DVUA/JSPAOF |
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