{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,20]],"date-time":"2026-10-20T02:38:54Z","timestamp":1792463934342,"version":"4.5.0"},"reference-count":36,"publisher":"IOP Publishing","issue":"3","license":[{"start":{"date-parts":[[2023,4,6]],"date-time":"2023-04-06T00:00:00Z","timestamp":1680739200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/publishingsupport.iopscience.iop.org\/iop-standard\/v1"},{"start":{"date-parts":[[2023,4,6]],"date-time":"2023-04-06T00:00:00Z","timestamp":1680739200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"crossref","award":["17\/02317-2"],"award-info":[{"award-number":["17\/02317-2"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["2D Mater."],"published-print":{"date-parts":[[2023,7,1]]},"abstract":"Abstract<\/jats:title>\n Transition metal dichalcogenides have been the subject of numerous studies addressing technological applications and fundamental issues. Single-layer PtSe2<\/jats:sub> is a semiconductor with a trivial bandgap, in contrast, its counterpart with \n \n \n 25<\/mml:mn>\n %<\/mml:mi>\n <\/mml:math>\n \n <\/jats:inline-formula> of Se atoms substituted by Hg, Pt2<\/jats:sub>HgSe3<\/jats:sub> (jacutingaite, a naturally occurring mineral) is a 2D topological insulator with a large bandgap. Based on ab-initio<\/jats:italic> calculations, we investigate the energetic stability, and the topological transition in Pt(Hg\n x<\/jats:italic>\n <\/jats:sub>Se\n \n \n \n \n \n 1<\/mml:mn>\n \u2212<\/mml:mo>\n x<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n \n <\/jats:inline-formula>)2<\/jats:sub> as a function of alloy concentration, and the distribution of Hg atoms embedded in the PtSe2<\/jats:sub> host. Our findings reveal the dependence of the topological phase with respect to the alloy concentration and robustness with respect to the distribution of Hg. Through a combination of our ab-initio<\/jats:italic> results and a defect wave function percolation model, we estimate the random alloy concentration threshold for the topological transition to be only \n \n \n 9<\/mml:mn>\n %<\/mml:mi>\n <\/mml:math>\n \n <\/jats:inline-formula>. Our results expand the possible search for non-trivial topological phases in random alloy systems.<\/jats:p>","DOI":"10.1088\/2053-1583\/acc670","type":"journal-article","created":{"date-parts":[[2023,3,22]],"date-time":"2023-03-22T18:25:21Z","timestamp":1679509521000},"page":"035001","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":6,"title":["Topological insulating phase arising in transition metal dichalcogenide alloy"],"prefix":"10.1088","volume":"10","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2937-2620","authenticated-orcid":true,"given":"F","family":"Crasto de Lima","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4811-7729","authenticated-orcid":false,"given":"B","family":"Focassio","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1237-1525","authenticated-orcid":true,"given":"R H","family":"Miwa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5384-7676","authenticated-orcid":false,"given":"A","family":"Fazzio","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2023,4,6]]},"reference":[{"key":"tdmacc670bib1","doi-asserted-by":"publisher","first-page":"35","DOI":"10.1038\/s41586-018-0770-2","type":"journal-article","article-title":"Scalable energy-efficient magnetoelectric spin\u2013orbit logic","volume":"565","author":"Manipatruni","year":"2019","journal-title":"Nature"},{"key":"tdmacc670bib2","doi-asserted-by":"publisher","first-page":"32","DOI":"10.1111\/j.1365-3121.2007.00783.x","type":"journal-article","article-title":"Platinum enrichment at low temperatures and related microstructures, with examples of hongshiite (PtCu) and empirical \u2018Pt2HgSe3\u2019 from Itabira, Minas Gerais, Brazil","volume":"20","author":"Cabral","year":"2008","journal-title":"Terra Nova"},{"key":"tdmacc670bib3","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.120.117701","type":"journal-article","article-title":"Prediction of a large-gap and switchable Kane\u2013Mele quantum spin Hall insulator","volume":"120","author":"Marrazzo","year":"2018","journal-title":"Phys. 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All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2022-12-12","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2023-03-22","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2023-04-06","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}