{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T20:01:03Z","timestamp":1792785663134,"version":"4.5.0"},"reference-count":115,"publisher":"IOP Publishing","issue":"36","license":[{"start":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T00:00:00Z","timestamp":1788825600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/publishingsupport.iopscience.iop.org\/iop-standard\/v1"},{"start":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T00:00:00Z","timestamp":1788825600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"name":"Agencia Nacional de Investigaci\u00f3n e Innovaci\u00f3n","award":["PD_NAC_2024_1_182525"],"award-info":[{"award-number":["PD_NAC_2024_1_182525"]}],"id":[{"id":"https:\/\/ror.org\/03egaj678","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["J. Phys.: Condens. Matter"],"published-print":{"date-parts":[[2026,9,11]]},"abstract":"Abstract<\/jats:title>\n \n The emergence of two-dimensional topological materials, particularly the group-14 monolayers known as silicene, germanene, and stanene has opened promising pathways for next-generation nanoelectronics and spintronics. Their buckled honeycomb structure and strong spin\u2013orbit coupling allow for bandgap engineering via a perpendicular electric field, leading to topological phase transitions (TPTs) from non-trivial to trivial insulating states. However, precise determination of the critical electric field\n \n \n \n <\/jats:tex-math>\n \n \n \n E<\/mml:mi>\n z<\/mml:mi>\n \n cr<\/mml:mtext>\n <\/mml:mrow>\n <\/mml:msubsup>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n at which these transitions occur remains challenging, with tight-binding (TB) models often underestimating these values. Here, we present a first-principles framework that combines density-functional theory, maximally localized Wannier functions, and evolution of the Wannier charge centers to accurately characterize TPTs in silicene, germanene, and stanene through the\n \n \n \n <\/jats:tex-math>\n \n \n \n \n Z<\/mml:mi>\n <\/mml:mrow>\n 2<\/mml:mn>\n <\/mml:msub>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n topological invariant. In contrast to earlier work, at each electric-field strength we run fully self-consistent\n ab initio<\/jats:italic>\n simulations to obtain the screened electronic structure, accounting for the material\u2019s dielectric response from both electrons and ions. From these converged results we construct a Wannier TB Hamiltonian at each electric field strength, which then enables a gauge-invariant calculation of the\n \n \n \n <\/jats:tex-math>\n \n \n \n \n Z<\/mml:mi>\n <\/mml:mrow>\n 2<\/mml:mn>\n <\/mml:msub>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n topological invariant. This methodology yields significantly more accurate numerical predictions of\n \n \n \n <\/jats:tex-math>\n \n \n \n E<\/mml:mi>\n z<\/mml:mi>\n \n cr<\/mml:mtext>\n <\/mml:mrow>\n <\/mml:msubsup>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n \u2014\n \n \n \n <\/jats:tex-math>\n \n \n \n 0.020<\/mml:mn>\n <\/mml:mrow>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n and\n \n \n \n <\/jats:tex-math>\n \n \n \n 0.250<\/mml:mn>\n <\/mml:mrow>\n \n \n \n V<\/mml:mi>\n <\/mml:mrow>\n \n \n \u00c5<\/mml:mtext>\n <\/mml:mrow>\n <\/mml:mrow>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n for silicene and germanene, respectively\u2014and provides deeper insight into the interplay between electronic structure and topological order. Compared to previous approaches, our framework delivers a marked quantitative improvement for predicting topological phase boundaries, essential for guiding the design of topological field-effect transistors and electrostatically controlled quantum devices based on two-dimensional materials.\n <\/jats:p>","DOI":"10.1088\/1361-648x\/ae9e75","type":"journal-article","created":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T22:52:48Z","timestamp":1787698368000},"page":"365401","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["First principles calculations of electric field driven topological phase transitions in silicene, germanene and stanene"],"prefix":"10.1088","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9065-8943","authenticated-orcid":true,"given":"Juli\u00e1n Antonio","family":"Villarreal Mur\u00faa","sequence":"first","affiliation":[{"name":"Universidad de la Rep\u00fablica"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"},{"role":"validation","vocabulary":"credit"},{"role":"visualization","vocabulary":"credit"},{"role":"writing-original-draft","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0758-4048","authenticated-orcid":true,"given":"Pablo","family":"Roura-Bas","sequence":"additional","affiliation":[{"name":"Centro At\u00f3mico Bariloche, Comisi\u00f3n Nacional de Energ\u00eda At\u00f3mica"},{"name":"Instituto Balseiro, Universidad Nacional de Cuyo"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"methodology","vocabulary":"credit"},{"role":"supervision","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2640-4842","authenticated-orcid":false,"given":"Javier Daniel","family":"Fuhr","sequence":"additional","affiliation":[{"name":"Centro At\u00f3mico Bariloche, Comisi\u00f3n Nacional de Energ\u00eda At\u00f3mica"},{"name":"Instituto Balseiro, Universidad Nacional de Cuyo"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"methodology","vocabulary":"credit"},{"role":"software","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1650-7677","authenticated-orcid":true,"given":"Ricardo","family":"Faccio","sequence":"additional","affiliation":[{"name":"Universidad de la Rep\u00fablica"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"},{"role":"resources","vocabulary":"credit"},{"role":"software","vocabulary":"credit"},{"role":"supervision","vocabulary":"credit"},{"role":"validation","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]}],"member":"266","published-online":{"date-parts":[[2026,9,8]]},"reference":[{"key":"cmae9e75bib1","doi-asserted-by":"publisher","first-page":"70","DOI":"10.1038\/s42005-021-00569-5","type":"journal-article","article-title":"Topological electronics","volume":"4","author":"Gilbert","year":"2021","journal-title":"Commun. 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