{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,3]],"date-time":"2026-06-03T07:15:31Z","timestamp":1780470931134,"version":"3.54.1"},"reference-count":30,"publisher":"IOP Publishing","issue":"22","license":[{"start":{"date-parts":[[2026,6,3]],"date-time":"2026-06-03T00:00:00Z","timestamp":1780444800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/publishingsupport.iopscience.iop.org\/iop-standard\/v1"},{"start":{"date-parts":[[2026,6,3]],"date-time":"2026-06-03T00:00:00Z","timestamp":1780444800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"name":"FAPEMIG and CAPES, Brazil"}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["J. Phys.: Condens. Matter"],"published-print":{"date-parts":[[2026,6,5]]},"abstract":"Abstract<\/jats:title>\n \n We investigate the structural, energetic, and mechanical properties of MoS\n \n \n \n <\/jats:tex-math>\n \n \n \n \n 2<\/mml:mn>\n <\/mml:msub>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n and MoSe\n \n \n \n <\/jats:tex-math>\n \n \n \n \n 2<\/mml:mn>\n <\/mml:msub>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n polytypes using density functional theory within the generalized gradient approximation, including van der Waals corrections. The relative stability of different stacking configurations is analyzed, and the influence of hydrostatic and uniaxial strain on structural parameters is systematically explored. Particular attention is given to the role of anisotropic stress conditions in layered transition metal dichalcogenides. The results provide insights into the interplay between interlayer interactions and mechanical response, offering a consistent framework to interpret experimental observations and predict phase stability under pressure.\n <\/jats:p>","DOI":"10.1088\/1361-648x\/ae716c","type":"journal-article","created":{"date-parts":[[2026,5,21]],"date-time":"2026-05-21T22:54:47Z","timestamp":1779404087000},"page":"225402","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Density functional theory insights into the structural, energetic, and mechanical properties of MoS\n \n \n \n \n 2<\/mml:mn>\n <\/mml:msub>\n <\/mml:mrow>\n <\/mml:math>\n and MoSe\n \n \n \n \n 2<\/mml:mn>\n <\/mml:msub>\n <\/mml:mrow>\n <\/mml:math>\n polytypes"],"prefix":"10.1088","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0137-3867","authenticated-orcid":true,"given":"G","family":"do Carmo Dantas","sequence":"first","affiliation":[{"name":"Universidade Federal de S\u00e3o Jo\u00e3o Del Rei"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1612-2523","authenticated-orcid":true,"given":"H W Leite","family":"Alves","sequence":"additional","affiliation":[{"name":"Universidade Federal de S\u00e3o Jo\u00e3o Del Rei"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2026,6,3]]},"reference":[{"key":"cmae716cbib1","doi-asserted-by":"publisher","first-page":"288","DOI":"10.3390\/photonics2010288","type":"journal-article","article-title":"Recent advancement on the optical properties of two-dimensional molybdenum disulfide MoS 2 thin films","volume":"2","author":"Ye","year":"2015","journal-title":"Photonics"},{"key":"cmae716cbib2","doi-asserted-by":"publisher","first-page":"478","DOI":"10.3906\/fiz-1407-16","type":"journal-article","article-title":"Two-dimensional MoS 2 as a new material for electronic devices","volume":"38","author":"Izyumskaya","year":"2014","journal-title":"Turk. 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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":"2026-03-31","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-05-21","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-06-03","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}