{"@context":"http://schema.org","@type":"Dataset","@id":"https://doi.org/10.48788/DVUA/PIPDML","identifier":"https://doi.org/10.48788/DVUA/PIPDML","name":"High-Resolution XPS Dataset for TIHgBr₃ Single Crystals","creator":[{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevych Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0002-2403-8607","@id":"https://orcid.org/0000-0002-2403-8607","identifier":"https://orcid.org/0000-0002-2403-8607","name":"O.Y. Khyzhun"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevych Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0002-0492-1945","@id":"https://orcid.org/0000-0002-0492-1945","identifier":"https://orcid.org/0000-0002-0492-1945","name":"N.M. Denysyuk"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevych Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0009-0005-0814-5911","@id":"https://orcid.org/0009-0005-0814-5911","identifier":"https://orcid.org/0009-0005-0814-5911","name":"O.O. Foia"}],"author":[{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevych Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0002-2403-8607","@id":"https://orcid.org/0000-0002-2403-8607","identifier":"https://orcid.org/0000-0002-2403-8607","name":"O.Y. Khyzhun"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevych Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0000-0002-0492-1945","@id":"https://orcid.org/0000-0002-0492-1945","identifier":"https://orcid.org/0000-0002-0492-1945","name":"N.M. Denysyuk"},{"@type":"Person","affiliation":{"@type":"Organization","name":"Frantsevych Institute for Problems of Materials Science of NAS of Ukraine"},"sameAs":"https://orcid.org/0009-0005-0814-5911","@id":"https://orcid.org/0009-0005-0814-5911","identifier":"https://orcid.org/0009-0005-0814-5911","name":"O.O. Foia"}],"datePublished":"2025-12-23","dateModified":"2025-12-23","version":"1","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.","keywords":["Chemistry","Physics","Other","Physical Sciences","Materials Science","halide semiconductor","X-ray photoelectron spectroscopy (XPS","Single crystal","Valence band","Core levels","Electronic structure","Chemical state","TIHgBr₃"],"citation":[{"@type":"CreativeWork","name":"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","@id":"https://doi.org/10.1016/j.optmat.2015.08.026","identifier":"https://doi.org/10.1016/j.optmat.2015.08.026","url":"https://doi.org/10.1016/j.optmat.2015.08.026"},{"@type":"CreativeWork","name":"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","@id":"https://doi.org/10.1016/j.optmat.2018.10.019","identifier":"https://doi.org/10.1016/j.optmat.2018.10.019","url":"https://doi.org/10.1016/j.optmat.2018.10.019"}],"license":"http://creativecommons.org/licenses/by/4.0","includedInDataCatalog":{"@type":"DataCatalog","name":"DataverseUA","url":"https://opendata.nas.gov.ua"},"publisher":{"@type":"Organization","name":"DataverseUA"},"provider":{"@type":"Organization","name":"DataverseUA"},"funder":[{"@type":"Organization","name":"Синтез та дослідження особливостей електронної будови нанорозмірних карбідних, нітридних, оксидних фаз, а також високопористих вуглецевих матеріалів"},{"@type":"Organization","name":"NAS of Ukraine"},{"@type":"Organization","name":"This work was partially supported by the Polish National Science Centre, Project No. 2011/01/B/ST7/06194."}],"distribution":[{"@type":"DataDownload","name":"0_ReadMe_EN_TlHgBr3.txt","encodingFormat":"text/plain","contentSize":7671,"description":"directory content information (English)","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/969"},{"@type":"DataDownload","name":"0_ReadMe_UA_TlHgBr3.md","encodingFormat":"text/markdown","contentSize":13224,"description":"directory content information (Ukrainian)","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/968"},{"@type":"DataDownload","name":"TlHgBr3_Br_3d.txt","encodingFormat":"text/plain","contentSize":905,"description":"data for Br 3d electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/516"},{"@type":"DataDownload","name":"TlHgBr3_Br_3p.txt","encodingFormat":"text/plain","contentSize":3651,"description":"data for Br 3p electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/515"},{"@type":"DataDownload","name":"TlHgBr3_C_1s.txt","encodingFormat":"text/plain","contentSize":4057,"description":"data for C 1s electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/509"},{"@type":"DataDownload","name":"TlHgBr3_surv.txt","encodingFormat":"text/plain","contentSize":12023,"description":"general survey data for the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/514"},{"@type":"DataDownload","name":"TlHgBr3_Tl_4d_Hg_4d.txt","encodingFormat":"text/plain","contentSize":10029,"description":"data for Tl/Hg 4d electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/512"},{"@type":"DataDownload","name":"TlHgBr3_Tl_4f_Hg_4f.txt","encodingFormat":"text/plain","contentSize":5892,"description":"data for Tl/Hg 4f electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/511"},{"@type":"DataDownload","name":"TlHgBr3_VB.txt","encodingFormat":"text/plain","contentSize":4392,"description":"valence band electron data of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/506"},{"@type":"DataDownload","name":"TlHgBr3_Br_3d.jpg","encodingFormat":"image/jpeg","contentSize":647670,"description":"plot for Br 3d electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/961"},{"@type":"DataDownload","name":"TlHgBr3_Br_3p.jpg","encodingFormat":"image/jpeg","contentSize":687052,"description":"plot for Br 3p electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/967"},{"@type":"DataDownload","name":"TlHgBr3_C_1s.jpg","encodingFormat":"image/jpeg","contentSize":624032,"description":"plot for C 1s electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/960"},{"@type":"DataDownload","name":"TlHgBr3_Hg_4d_Tl_4d.jpg","encodingFormat":"image/jpeg","contentSize":719085,"description":"plot for 4d electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/962"},{"@type":"DataDownload","name":"TlHgBr3_Hg_4f.jpg","encodingFormat":"image/jpeg","contentSize":622679,"description":"plot for Hg 4f electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/966"},{"@type":"DataDownload","name":"TlHgBr3_surv.jpg","encodingFormat":"image/jpeg","contentSize":928721,"description":"survey plot of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/965"},{"@type":"DataDownload","name":"TlHgBr3_Tl_4f.jpg","encodingFormat":"image/jpeg","contentSize":703327,"description":" plot for 4f electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/964"},{"@type":"DataDownload","name":"TlHgBr3_Tl_5d.jpg","encodingFormat":"image/jpeg","contentSize":629866,"description":"plot for Tl 5d electrons of the pristine surface","contentUrl":"https://opendata.nas.gov.ua/api/access/datafile/963"}]}