{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,10]],"date-time":"2026-03-10T19:23:32Z","timestamp":1773170612383,"version":"3.50.1"},"reference-count":36,"publisher":"IOP Publishing","issue":"2","license":[{"start":{"date-parts":[[2025,2,14]],"date-time":"2025-02-14T00:00:00Z","timestamp":1739491200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/page\/copyright"},{"start":{"date-parts":[[2025,2,14]],"date-time":"2025-02-14T00:00:00Z","timestamp":1739491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["2D Mater."],"published-print":{"date-parts":[[2025,4,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Combining quantum confinement and high entropy in the recently synthesized two-dimensional (2D) high entropy transition metal (TM) dichalcogenides offers a platform for unique and unexplored electronic properties. Using density functional theory and tight-binding Hamiltonians, we have explored the role of disorder and strong electronic correlations on the metal-to-insulator transitions of (MoVNbW)S<jats:sub>2<\/jats:sub> monolayer. Our GGA+<jats:italic>U<\/jats:italic> results identify that the 1H phase is a half-metal that undergoes a metal-to-insulator transition in the spin (<jats:inline-formula>\n                     <jats:tex-math\/>\n                     <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mrow>\n                           <mml:mo stretchy=\"false\">\u2191<\/mml:mo>\n                        <\/mml:mrow>\n                     <\/mml:math>\n                  <\/jats:inline-formula>) channel with a Mott gap of 0.18 eV. The strongly correlated V-3<jats:italic>d<\/jats:italic> states drive the metal-to-insulator transition by suppressing the long-range TM\u2212TM hopping. In addition, the 1H phase exhibits strong short-range ferromagnetism via the superexchange interactions of TM\u2212V pairs, with localized magnetic moments on V atoms in the range of 1.3 \u223c 1.6<jats:italic>\u00b5<\/jats:italic>\n                  <jats:sub>\n                     <jats:italic>B<\/jats:italic>\n                  <\/jats:sub>. In contrast, geometric distortion in the 1T phase drives the metal-to-insulator transition by altering the charge density, opening a band gap of 0.37 eV. The 1T phase exhibits localized magnetic moments on V atoms (1.7 \u223c 1.9<jats:italic>\u00b5<\/jats:italic>\n                  <jats:sub>\n                     <jats:italic>B<\/jats:italic>\n                  <\/jats:sub>), with superexchange interactions occurring only between V\u2212V pairs. Our findings contribute to understanding the complex interplay between disorder and strong electronic correlations in 2D high entropy TM dichalcogenides and provide a pathway for tailoring the electronic and magnetic properties of 2D high entropy materials.<\/jats:p>","DOI":"10.1088\/2053-1583\/adafc0","type":"journal-article","created":{"date-parts":[[2025,1,29]],"date-time":"2025-01-29T22:51:01Z","timestamp":1738191061000},"page":"025020","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":1,"title":["Strong correlations and disorder driven metal to insulator transition in high entropy (MoVNbW)S<sub>2<\/sub> monolayer"],"prefix":"10.1088","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2618-7822","authenticated-orcid":true,"given":"Khaled","family":"Badawy","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lianxi","family":"Zheng","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8043-0403","authenticated-orcid":true,"given":"Nirpendra","family":"Singh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"266","published-online":{"date-parts":[[2025,2,14]]},"reference":[{"key":"tdmadafc0bib1","doi-asserted-by":"publisher","first-page":"299","DOI":"10.1002\/adem.200300567","article-title":"Nanostructured highentropy alloys with multiple principal elements: novel alloy design concepts and outcomes","volume":"6","author":"Yeh","year":"2004","journal-title":"Adv. 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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":"2024-09-18","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2025-01-29","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2025-02-14","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}