High-Resolution XPS Dataset for TIHgBr₃ Single Crystals (doi:10.48788/DVUA/PIPDML)

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High-Resolution XPS Dataset for TIHgBr₃ Single Crystals

doi:10.48788/DVUA/PIPDML

DataverseUA

2025-12-23

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O.Y. Khyzhun; N.M. Denysyuk; O.O. Foia, 2025, "High-Resolution XPS Dataset for TIHgBr₃ Single Crystals", https://doi.org/10.48788/DVUA/PIPDML, DataverseUA, V1

High-Resolution XPS Dataset for TIHgBr₃ Single Crystals

doi:10.48788/DVUA/PIPDML

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

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

O.O. Foia (Frantsevych Institute for Problems of Materials Science of NAS of Ukraine)

UHV ANALYSIS SYSTEM Centre

0111U002435

0111U002435

0111U002435

DataverseUA

N.M. Denysyuk

Denysiuk, Natalia

2025-12-15

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

Chemistry, Physics, Other, halide semiconductor, X-ray photoelectron spectroscopy (XPS, Single crystal, Valence band, Core levels, Electronic structure, Chemical state, TIHgBr₃

Physical Sciences, Materials Science

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.

2014-02-01-2014-02-15

XPS experiment dataset

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) 100 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

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

10.1016/j.optmat.2015.08.026

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

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

10.1016/j.optmat.2018.10.019

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

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0_ReadMe_EN_TlHgBr3.txt

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directory content information (English)

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0_ReadMe_UA_TlHgBr3.md

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directory content information (Ukrainian)

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TlHgBr3_Br_3d.txt

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data for Br 3d electrons of the pristine surface

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TlHgBr3_Br_3p.txt

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data for Br 3p electrons of the pristine surface

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TlHgBr3_C_1s.txt

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data for C 1s electrons of the pristine surface

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TlHgBr3_surv.txt

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general survey data for the pristine surface

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TlHgBr3_Tl_4d_Hg_4d.txt

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data for Tl/Hg 4d electrons of the pristine surface

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TlHgBr3_Tl_4f_Hg_4f.txt

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data for Tl/Hg 4f electrons of the pristine surface

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TlHgBr3_VB.txt

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valence band electron data of the pristine surface

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TlHgBr3_Br_3d.jpg

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plot for Br 3d electrons of the pristine surface

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TlHgBr3_Br_3p.jpg

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plot for Br 3p electrons of the pristine surface

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TlHgBr3_C_1s.jpg

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plot for C 1s electrons of the pristine surface

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TlHgBr3_Hg_4d_Tl_4d.jpg

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plot for 4d electrons of the pristine surface

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TlHgBr3_Hg_4f.jpg

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plot for Hg 4f electrons of the pristine surface

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TlHgBr3_surv.jpg

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survey plot of the pristine surface

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TlHgBr3_Tl_4f.jpg

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plot for 4f electrons of the pristine surface

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TlHgBr3_Tl_5d.jpg

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plot for Tl 5d electrons of the pristine surface

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