High-Resolution XPS Dataset for TlHgBr₃ Single Crystals

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O.Y. Khyzhun; N.M. Denysiuk; O.O. Foia, 2025, "High-Resolution XPS Dataset for TlHgBr₃ Single Crystals", https://doi.org/10.48788/DVUA/PIPDML, DataverseUA, V1

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Description	The obtained X-ray photoelectron spectroscopy (XPS) results provide detailed information on the electron energy distribution, their relationship with the chemical states of atoms, and the electronic structure of the material surface. High-resolution measurements of core-level and valence-band spectra were performed for the TIHgBr₃ single crystal grown using the Bridgman–Stockbarger method. This dataset allows analysis of the chemical composition and electronic structure of the TIHgBr₃ surface, assessment of the stability of elemental chemical states, and investigation of surface properties. The dataset contains experimental XPS data of the pristine surface only, suitable for comparative analysis and modeling of the electronic structure of halide materials. Spectra after Ar⁺-ion irradiation are not included. (2025-12-05)
Subject	Chemistry; Physics; Other
Keyword	halide semiconductor, X-ray photoelectron spectroscopy (XPS, Single crystal, Valence band, Core levels, Electronic structure, Chemical state, TIHgBr₃
Related Publication	Single crystal growth, structure and properties of TlHgBr₃. P. Demchenko, O.Y. Khyzhun, P.M. Fochuk, S.I. Levkovets, G.L. Myronchuk, O.V. Parasyuk/ Optical Materials, Volume 49, November 2015, Pages 94–99. DOI / URL: https://doi.org/10.1016/j.optmat.2015.08.026 doi: 10.1016/j.optmat.2015.08.026
Notes	Preparation, etching regimes I (etching current) 17 A; V (etching voltage) 3 kV; t (etching time) 5 min; P (etching pressure) 8x10-6 mbar; theta (etching angle) 55; Preparation Ex-situ No; Preparation In-situ Ion beam cleaned with 3 kV Ar ions. Analysis source characteristic energy 1253.6 eV; analysis source power (power) 100 W; analysis source strength (emission current) 10 mA; analysis source strength; (anode voltage) 10 kV; analysis pass energy 30 eV; analysis chamber pressure 4x10-10 mbar; start energy (Kinetic Energy) Spectrum start kinetic energy; end energy (Kinetic Energy) Spectrum end kinetic energy; start energy (Binding Energy) 1000; end energy (Binding Energy) -10 eV; eV per step 0.1; Dwell time 0.1; Source Angle 45; Analyzer axis take off polar; angle 90 deg; the angle of inclination of the source to the plane of the sample at measurements of 55 deg
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	0_ReadMe_EN_TlHgBr3.txt Plain Text - 7.5 KB Published Dec 23, 2025 16 Downloads MD5: 4db835675a90bb5166fcb64c05e10aee directory content information (English) Documentationreadme	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	0_ReadMe_UA_TlHgBr3.md Markdown Text - 12.9 KB Published Dec 23, 2025 12 Downloads MD5: bfbf9ab140d33608eba83572eb9517f3 directory content information (Ukrainian) Documentationreadme	Access File File Access Public Download Options Markdown Text Download Metadata Data File Citation EndNote XML RIS BibTeX
	TlHgBr3_Br_3d.txt Plain Text - 905 B Published Dec 23, 2025 21 Downloads MD5: b753b8e29f7f472dd5c0ea4d88872c0a data for Br 3d electrons of the pristine surface Datapristine surfaceTIHgBr3	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	TlHgBr3_Br_3p.txt Plain Text - 3.6 KB Published Dec 23, 2025 547 Downloads MD5: eb454906ad8cc8ae89adbd431cd333dd data for Br 3p electrons of the pristine surface Datapristine surfaceTIHgBr3	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	TlHgBr3_C_1s.txt Plain Text - 4.0 KB Published Dec 23, 2025 14 Downloads MD5: 52da089699afd1e0066c6209e0353a69 data for C 1s electrons of the pristine surface Datapristine surfaceTIHgBr3	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	TlHgBr3_surv.txt Plain Text - 11.7 KB Published Dec 23, 2025 138 Downloads MD5: 7094be0f8429727f3206a84cf0791ef8 general survey data for the pristine surface Datapristine surfaceTIHgBr3	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	TlHgBr3_Tl_4d_Hg_4d.txt Plain Text - 9.8 KB Published Dec 23, 2025 25 Downloads MD5: 45d770e27936d4fa3be4c401ae370955 data for Tl/Hg 4d electrons of the pristine surface Datapristine surfaceTIHgBr3	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	TlHgBr3_Tl_4f_Hg_4f.txt Plain Text - 5.8 KB Published Dec 23, 2025 19 Downloads MD5: 9dff2b5d1bbb2be4a6e86ac10584ee7f data for Tl/Hg 4f electrons of the pristine surface Datapristine surfaceTIHgBr3	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	TlHgBr3_VB.txt Plain Text - 4.3 KB Published Dec 23, 2025 1,146 Downloads MD5: 58cfe7b9b16ad38a5f06dbc0c9a0cb69 valence band electron data of the pristine surface Datapristine surfaceTIHgBr3	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text Read Text
	TlHgBr3_Br_3d.jpg XPS_Graphics/JPEG Image - 632.5 KB Published Dec 23, 2025 11 Downloads MD5: d72979ad425d795d139bb3e586666c52 plot for Br 3d electrons of the pristine surface graficplotpristine surfaceTIHgBr3	Access File File Access Public Download Options JPEG Image Download Metadata Data File Citation EndNote XML RIS BibTeX Explore Options View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image View Image

Citation Metadata

Persistent Identifier	doi:10.48788/DVUA/PIPDML
Publication Date	2025-12-23
Title	High-Resolution XPS Dataset for TlHgBr₃ Single Crystals
Subtitle	Core-level and valence-band spectra of the TlHgBr₃ surface
Alternative Title	High-Resolution X-ray Photoelectron Spectroscopy (XPS) Data of TlHgBr₃ Single Crystal
Author	O.Y. Khyzhun (Frantsevych Institute for Problems of Materials Science of NAS of Ukraine) - ORCID: 0000-0001-6727-643X N.M. Denysiuk (Frantsevych Institute for Problems of Materials Science of NAS of Ukraine) - ORCID: 0000-0002-0492-1945 O.O. Foia (Frantsevych Institute for Problems of Materials Science of NAS of Ukraine) - ORCID: 0009-0005-0814-5911
Point of Contact	Use email button above to contact. N.M. Denysiuk (Frantsevych Institute for Problems of Materials Science of NAS of Ukraine)
Description	The obtained X-ray photoelectron spectroscopy (XPS) results provide detailed information on the electron energy distribution, their relationship with the chemical states of atoms, and the electronic structure of the material surface. High-resolution measurements of core-level and valence-band spectra were performed for the TIHgBr₃ single crystal grown using the Bridgman–Stockbarger method. This dataset allows analysis of the chemical composition and electronic structure of the TIHgBr₃ surface, assessment of the stability of elemental chemical states, and investigation of surface properties. The dataset contains experimental XPS data of the pristine surface only, suitable for comparative analysis and modeling of the electronic structure of halide materials. Spectra after Ar⁺-ion irradiation are not included. (2025-12-05)
Subject	Chemistry; Physics; Other
Keyword	halide semiconductor https://dictionary.cambridge.org/dictionary/english/semiconductor X-ray photoelectron spectroscopy (XPS https://www.chemicool.com/definition/x_ray_photoelectron_spectroscopy_xps.html?utm_source=chatgpt.com Single crystal https://dictionary.cambridge.org/dictionary/english/crystal Valence band https://dictionary.cambridge.org/dictionary/english/valence-band?q=Valence+band Core levels Electronic structure https://lnk.ua/mkANNEi7T Chemical state TIHgBr₃
Topic Classification	Physical Sciences https://api.openaire.eu/vocabularies/dnet:fos/0103%20physical%20sciences Materials Science https://datascience.codata.org/articles/dsj-2021-018?utm_source=chatgpt.com
Related Publication	Single crystal growth, structure and properties of TlHgBr₃. P. Demchenko, O.Y. Khyzhun, P.M. Fochuk, S.I. Levkovets, G.L. Myronchuk, O.V. Parasyuk/ Optical Materials, Volume 49, November 2015, Pages 94–99. DOI / URL: https://doi.org/10.1016/j.optmat.2015.08.026 doi: 10.1016/j.optmat.2015.08.026 https://doi.org/10.1016/j.optmat.2015.08.026 Electronic structure and basic optical constants of TlHgBr₃: Density functional theory calculations. Tuan V. Vu, Anatoliy A. Lavrentyev, Boris V. Gabrelian, Hien D. Tong, Hai L. Luong, Oleg V. Parasyuk, Yuri M. Kogut, Oleg Y. Khyzhun. Optical Materials, Volume 86, December 2018, Pages 191–197. DOI / URL: https://doi.org/10.1016/j.optmat.2018.10.019 doi: 10.1016/j.optmat.2018.10.019 https://doi.org/10.1016/j.optmat.2018.10.019
Notes	Preparation, etching regimes I (etching current) 17 A; V (etching voltage) 3 kV; t (etching time) 5 min; P (etching pressure) 8x10-6 mbar; theta (etching angle) 55; Preparation Ex-situ No; Preparation In-situ Ion beam cleaned with 3 kV Ar ions. Analysis source characteristic energy 1253.6 eV; analysis source power (power) 100 W; analysis source strength (emission current) 10 mA; analysis source strength; (anode voltage) 10 kV; analysis pass energy 30 eV; analysis chamber pressure 4x10-10 mbar; start energy (Kinetic Energy) Spectrum start kinetic energy; end energy (Kinetic Energy) Spectrum end kinetic energy; start energy (Binding Energy) 1000; end energy (Binding Energy) -10 eV; eV per step 0.1; Dwell time 0.1; Source Angle 45; Analyzer axis take off polar; angle 90 deg; the angle of inclination of the source to the plane of the sample at measurements of 55 deg
Language	English
Producer	Frantsevych Institute for Problems of Materials Science of NAS of Ukraine (N.A.S. of Ukraine) (IPM NASU / ІПМ НАНУ) https://www.ipms.kyiv.ua/?utm_source=chatgpt.com
Production Location	Ukraine, Kyiv
Contributor	Research Group : UHV ANALYSIS SYSTEM Centre, Department No. 47 of Surface Spectroscopy of Novel Materials, Frantsevich Institute for Problems of Materials Science of NAS of Ukraine
Funding Information	Синтез та дослідження особливостей електронної будови нанорозмірних карбідних, нітридних, оксидних фаз, а також високопористих вуглецевих матеріалів: 0111U002435 NAS of Ukraine This work was partially supported by the Polish National Science Centre, Project No. 2011/01/B/ST7/06194.
Depositor	Denysiuk, Nataliia
Deposit Date	2025-12-15
Date of Collection	Start Date: 2014-02-01 ; End Date: 2014-02-15
Data Type	XPS experiment dataset

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XPS experiment dataset for crystal Tl3PbBr5

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Наведені нижче положення та умови регулюють будь-яке використання Репозиторію даних НАН України DataverseUA (далі - DataverseUA) і сервісів, доступних на веб-сайті вами та будь-якими третіми сторонами, які використовують ваш обліковий запис. Використання DataverseUA пропонується за умови прийняття та дотримання всіх положень і умов, що містяться в цьому документі. Натискаючи «Я приймаю» та/або користуючись DataverseUA, ви погоджуєтеся та приймаєте всі умови документу «Загальні умови використання Репозиторію даних НАН України DataverseUA» (далі - «Угода»).

Зміна умов використання DataverseUA

Репозиторій даних НАН України DataverseUA розміщено в Інституті теоретичної фізики ім.М.М.Боголюбова НАН України, який забезпечує адміністрування та підтримку функціонування DataverseUA. Інститут теоретичної фізики ім.М.М.Боголюбова НАН України залишає за собою право на власний розсуд редагувати або змінювати будь-які умови цієї Угоди в будь-який час без попереднього повідомлення Користувачів. Ви зобов’язані періодично перевіряти Угоду на наявність змін. Продовження використання Вами DataverseUA після публікації будь-яких змін до Угоди означає згоду з цими змінами.

Визначення

У цій Угоді використовуються наступні визначення:
«Автор» – означає особу, яка є розпорядником набору даних або уповноваженим агентом, який взяв на себе відповідальність розмістити набор даних досліджень у Репозиторії даних НАН України DataverseUA.

«Адміністратор Репозиторію даних DataverseUA» - особа яка відповідає за функціонування DataverseUA, створює, контролює та є головним організатором, куратором і менеджером певного набору даних.

«Використання сервісів» - будь-який доступ, використання або інші дії, пов’язані з функціями, сервісами, ресурсами та сховищем наборів даних DataverseUA, включаючи, але не обмежуючись, будь-яке завантаження, публікацію, зберігання, пошук, розповсюдження, сприяння розповсюдженню та інше використання будь-якого вмісту наборів даних, які зберігаються в DataverseUA.

«Доступ» - надання онлайн доступу або іншими засобами до набору даних з обмеженнями або без них.

«Документація» - означає будь-які цифрові файли, такі як опис, технічний звіт або журнал проведення досліджень, які пояснюють процедуру отримання, структуру або використання набору даних дослідження.

«Дані дослідження» - означає будь-який матеріал, створений або зібраний з метою аналізу для отримання оригінальних результатів дослідження, незалежно від формату даних. Дані дослідження можуть бути цифровими, паперовими або в інших формах.

«Збереження» - означає адміністрування набору даних і управління ним протягом визначеного періоду часу для забезпечення його постійної доступності та пов’язаних дій, які виконуються з набором даних.

«Куратор набору даних» - особа, яка відповідає за зміст набору даних, може завантажувати, редагувати файлі, які входять в набор даних, редагувати дозволи, ліцензію та публікувати набори даних.

«Користувач» - особа, яка має доступ до інформації, яка зберігається в DataverseUA, може переглядати набори даних.

«Метадані» - означає будь-яка описова інформація про набір даних, яка може використовуватися для полегшення пошуку, керування, повторного використання та збереження даного набору даних.

«Набір даних» - означає набір файлів, які містять дані дослідження, метадані та документацію.

«Неопублікований набір даних» - означає завантажений в DataverseUA набір даних, який ще не є загальнодоступним і доступний лише автору, куратору даних та адміністратору DataverseUA.

«Обліковий запис» - контрольований користувачем засіб доступу до DataverseUA, який захищено логіном та паролем, за допомогою якого користувачі можуть отримати доступ до функцій пошуку та завантаження наборів даних.

«Опубліковані метадані» - означає підмножину метаданих, яка відкрито публікуються в архіві за ліцензією CC0, що означає, що їх можна вільно повторно використовувати будь-якою особою.

«Обмеження» - означає обмеження доступу до всього або будь-якої частини набору даних, щоб його не можна було вільно та відкрито завантажити. Якщо будь-яка частина набору даних підпадає під Обмеження, інформацію щодо домовленостей про доступ необхідно повідомити та розмістити в Репозиторії даних НАН України DataverseUA.

«Угода» - означає цей документ, включаючи всі його положення та умови.

«Репозиторій даних НАН України DataverseUA» - означає Репозиторій даних НАН України DataverseUA, якій розташовано в Інституті теоретичної фізики ім.М.М.Боголюбова НАН України та використовуються для довгострокового зберігання, управління та обміну наборами даних досліджень.

Загальні правила поведінки

Загальні правила поведінки Користуючись DataverseUA, ви підтверджуєте, що Ви прочитали та зрозуміли «Політику конфіденційності DataverseUA». Ви повинні дотримуватися всіх діючих місцевих, державних, національних і міжнародних законів і правил під час користування Репозиторій даних НАН України DataverseUA, а ваше використання DataverseUA не повинно:

Порушувати будь-який патент, товарний знак, комерційну таємницю, авторське право, право на оприлюднення чи інші права будь-якої іншої фізичної чи юридичної особи;
Бути погрозливим, образливим, агресивним, наклепницьким, оманливим, шахрайським, посягати на приватне життя іншої людини;
Розміщувати будь-яку несанкціоновану або небажану рекламу, використовувати небажану чи масову розсилку електронною поштою повідомлень, коментарів чи інші повідомлення, прямо чи опосередковано пов’язаних з використанням програми DataverseUA, включаючи, але не обмежуючись коментарями, повідомленнями, надісланими на адресу електронної пошти, яка вказана в облікових записах інших користувачів;
Використовувати програмні віруси або будь-які інші комп’ютерні програми, які призначені для порушення, пошкодження, обмеження або перешкоджання належному функціонуванню будь-якого програмного, апаратного чи телекомунікаційного обладнання, або які призначені для пошкодження або отримання несанкціонованого доступу до будь-якої системи, файлів даних або іншої інформації, яка зберігається в DataverseUA;
Використовувати необґрунтоване або непропорційно велике навантаження на програмно-апаратну інфраструктуру DataverseUA, яке може завадити роботі інших користувачів;
Втручатися або намагатися втручатися в роботу програмно комплексу DataverseUA;
Обходити будь-які заходи, які DataverseUA може застосувати для запобігання чи обмеження доступу до сервісів (або інших облікових записів, комп’ютерних систем чи мереж, підключених до DataverseUA).

Вимоги до поведінки користувача

Як зареєстрований користувач ви можете завантажувати опубліковані набори даних, які знаходяться в вільному доступі відповідно до ліцензії, із Репозиторію даних НАН України DataverseUA. Умовою повноцінного користування DataverseUA є реєстрація та доступ до наборів даних через ваш обліковий запис. Ви повинні надати DataverseUA точну та повну реєстраційну інформацію та регулярно оновлювати таку інформацію, щоб підтримувати її повноту та точність. Невиконання цього може призвести до негайного припинення дії вашого облікового запису. Інститут теоретичної фізики ім.М.М.Боголюбова НАН України залишає за собою право відмовити в реєстрації або скасувати обліковий запис користувача на власний розсуд. Ви несете повну відповідальність за дії, які виконуються в DataverseUA через ваш обліковий запис, і несете відповідальність за збереження конфіденційності (логіна і паролю) свого облікового запису.

Ви ніколи не повинні використовувати обліковий запис іншого користувача DataverseUA без його явного дозволу. Ви повинні негайно письмово повідомити адміністратора DataverseUA про будь-яке несанкціоноване використання вашого облікового запису або інше порушення безпеки, пов’язане з обліковим записом, про яке вам відомо.

Маючи обліковий запис у Репозиторії даних НАН України DataverseUA, ви визнаєте, що:

Деталі вашого облікового запису (включаючи ім’я, по батькові, прізвище, адреса електронної пошти, назва установи та посада) доступні для пошуку іншими користувачами;
Деталі вашого облікового запису можуть бути збережені, коли ви завантажуєте набори даних, і цю інформацію потім може переглядати Адміністратор DataverseUA та Куратор набору даних.

High-Resolution XPS Dataset for TlHgBr₃ Single Crystals

A. Інформація, надана дослідниками

Інформація, яку ви надаєте добровільно

Інформація, зібрана під час використання вами DataverseUA

B. Використання інформації та даних

C. Cookies

D. Безпека

E. Зміни до Політики конфіденційності

Зміна умов використання DataverseUA

Визначення

Загальні правила поведінки

Вимоги до поведінки користувача