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Phys.: Condens. Matter"],"published-print":{"date-parts":[[2026,7,31]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Two-dimensional (2D) semiconductor\n                    <jats:italic>\u03b2<\/jats:italic>\n                    -TeO\n                    <jats:sub>2<\/jats:sub>\n                    based field-effect transistors (FETs) have attracted considerable attention in the field of microelectronic devices owing to their high on\/off ratio (&gt;10\n                    <jats:sup>6<\/jats:sup>\n                    ), low subthreshold swing (&lt;60 mV dec\n                    <jats:sup>\u22121<\/jats:sup>\n                    ), and small effective hole mass (0.51 m\n                    <jats:sub>e<\/jats:sub>\n                    ). The contacts between the\n                    <jats:italic>\u03b2<\/jats:italic>\n                    -TeO\n                    <jats:sub>2<\/jats:sub>\n                    semiconductor and metals are critical for enabling multifunctional device design. Here, we employed the first-principle calculation to investigate physical properties of contacts between 2D monolayer\n                    <jats:italic>\u03b2<\/jats:italic>\n                    -TeO\n                    <jats:sub>2<\/jats:sub>\n                    and a series of metals T\/H-XA\n                    <jats:sub>2<\/jats:sub>\n                    (X = V, Nb, Ta, and A = S, Se). The tunable sensitivity of the Schottky barrier to metal work function and the charge carrier injection efficiency with varying interlayer distance were systematically investigated. At the equilibrium interlayer distance, the contact approaches the ideal Schottky\u2013Mott limit with Fermi-level pinning (FLP) factor |\n                    <jats:italic>S<\/jats:italic>\n                    |\u2248 1. However, the tunneling probabilities for these contacts are low, varying from 0.12% for the contact with NbS\n                    <jats:sub>2<\/jats:sub>\n                    to 4.17% for the contact with VS\n                    <jats:sub>2<\/jats:sub>\n                    . Decreasing the interlayer distance to 2.0 \u00c5 leads to an increase in tunneling probability to 17.25% for the NbS\n                    <jats:sub>2<\/jats:sub>\n                    contact and 49.60% for the VSe\n                    <jats:sub>2<\/jats:sub>\n                    contact. However, the FLP factor\n                    <jats:italic>S<\/jats:italic>\n                    decreases to 0.42 for electrons and 0.52 for holes, indicating enhanced FLP effects due to increased metal-induced gap states. Thus, optimizing the interlayer distance to balance carrier injection efficiency and Fermi-pinning effects is crucial for high-performance FETs. These findings provide a theoretical basis for the further design and fabrication of high-performance TeO\n                    <jats:sub>2<\/jats:sub>\n                    based transistors in the future.\n                  <\/jats:p>","DOI":"10.1088\/1361-648x\/ae8a9f","type":"journal-article","created":{"date-parts":[[2026,7,14]],"date-time":"2026-07-14T22:53:25Z","timestamp":1784069605000},"page":"305002","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Modulating Fermi-level pinning and carrier injection efficiency in 2D\n                    <i>\u03b2-<\/i>\n                    TeO\n                    <sub>2<\/sub>\n                    \/metal van der Waals heterostructure via interlayer distance"],"prefix":"10.1088","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-7860-0185","authenticated-orcid":true,"given":"Yi","family":"Lu","sequence":"first","affiliation":[{"name":"Hunan University of Science and Technology, Hunan Provincial Key Laboratory of Intelligent Sensors and New Sensor Materials"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6920-7016","authenticated-orcid":true,"given":"Biao","family":"Liu","sequence":"additional","affiliation":[{"name":"Hunan Key Laboratory of Nanophotonics and Devices, School of Physics, Central South University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9113-7031","authenticated-orcid":false,"given":"Yu-Feng","family":"Ding","sequence":"additional","affiliation":[{"name":"University of South China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8073-5346","authenticated-orcid":true,"given":"Yu-Qing","family":"Zhao","sequence":"additional","affiliation":[{"name":"Hunan University of Science and Technology, Hunan Provincial Key Laboratory of Intelligent Sensors and New Sensor Materials"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1307-3631","authenticated-orcid":false,"given":"Huiping","family":"Zhu","sequence":"additional","affiliation":[{"name":"Institute of Microelectronics of the Chinese Academy of Sciences"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8022-8512","authenticated-orcid":true,"given":"Yuan-Xiao","family":"Ma","sequence":"additional","affiliation":[{"name":"Beijing Institute of Technology"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2026,7,29]]},"reference":[{"key":"cmae8a9fbib1","doi-asserted-by":"publisher","first-page":"768","DOI":"10.1038\/nnano.2014.207","type":"journal-article","article-title":"Electronics based on two-dimensional materials","volume":"9","author":"Fiori","year":"2014","journal-title":"Nat. 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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":"2026-04-21","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-07-14","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-07-29","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}