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Phys.: Condens. Matter"],"published-print":{"date-parts":[[2026,7,17]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    In this work, we systematically investigate the interfacial contact characteristics of MoSSe\/Si\n                    <jats:sub>2<\/jats:sub>\n                    P\n                    <jats:sub>3<\/jats:sub>\n                    van der Waals heterostructures using first-principles calculations. Among various feasible stacking modes, the AA1-stacking configuration possesses the lowest total energy and excellent thermodynamic stability, serving as the optimal structural model. The interfacial Schottky barrier height and contact performance of the heterostructure can be efficiently tuned via interlayer spacing adjustment, external electric field application, and biaxial strain engineering. At the equilibrium state, the MoSSe\/Si\n                    <jats:sub>2<\/jats:sub>\n                    P\n                    <jats:sub>3<\/jats:sub>\n                    heterostructure exhibits intrinsic p-type Schottky contact behavior. Remarkably, reversible and controllable contact transitions from p-type Schottky to n-type Schottky contact, and further to barrier-free Ohmic contact, can be realized through the above three modulation strategies. In particular, the transition from Schottky to Ohmic contact occurs under specific critical modulation conditions, including interlayer compression below 1.8 \u00c5, tensile strain larger than +8%, and negative electric field strength exceeding \u22120.9 V \u00c5\n                    <jats:sup>\u22121<\/jats:sup>\n                    . The synergistic effect of tunable interfacial contact properties and strain-induced metallicity enables the MoSSe\/Si\n                    <jats:sub>2<\/jats:sub>\n                    P\n                    <jats:sub>3<\/jats:sub>\n                    heterostructure to hold prominent application prospects for advanced next-generation nanoelectronic devices.\n                  <\/jats:p>","DOI":"10.1088\/1361-648x\/ae8732","type":"journal-article","created":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T22:52:12Z","timestamp":1783464732000},"page":"285501","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Tunable electronic characteristics and Schottky barrier of Si\n                    <sub>2<\/sub>\n                    P\n                    <sub>3<\/sub>\n                    \/MoSSe van der Waals heterostructures by electric field and strain modulation"],"prefix":"10.1088","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-9402-3963","authenticated-orcid":true,"given":"Xiandong","family":"Zeng","sequence":"first","affiliation":[{"name":"Xiangtan University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1391-914X","authenticated-orcid":true,"given":"Yuliang","family":"Mao","sequence":"additional","affiliation":[{"name":"Xiangtan University"},{"name":"Chinese Academy of Sciences"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2026,7,17]]},"reference":[{"key":"cmae8732bib1","doi-asserted-by":"publisher","DOI":"10.1007\/s11467-023-1283-1","type":"journal-article","article-title":"Recent developments in CVD growth and applications of 2D transition metal dichalcogenides","volume":"18","author":"Zeng","year":"2023","journal-title":"Front. 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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":"2026-02-13","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-07-07","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-07-17","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}