{"paper":{"title":"Geometric Percolation Threshold Defines Half-Metallic Window in Vacancy-Doped Titanium disulfides","license":"http://creativecommons.org/licenses/by/4.0/","headline":"Percolation of sulfur vacancies at roughly 12.5 percent concentration switches vacancy-doped titanium disulfide from an insulator to a half-metal.","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Rudra Banerjee, Shrestha Dutta","submitted_at":"2026-05-03T07:24:07Z","abstract_excerpt":"Defect engineering of two-dimensional materials routinely produces local magnetic moments, yet itinerant half-metallic\n  ferromagnetism remains elusive -- experiments frequently yield paramagnetic insulators. We resolve this paradox for vacancy-doped\n  monolayer $1T$-\\ptis~by demonstrating that the insulator-to-half-metal transition is governed by universal geometric percolation\n  of the defect network, extending the percolation framework established for three-dimensional diluted magnetic semiconductors into\n  the 2D vacancy-doped regime. Half-metallicity emerges via a two-step mechanism: crys"},"claims":{"count":4,"items":[{"kind":"strongest_claim","text":"the insulator-to-half-metal transition is governed by universal geometric percolation of the defect network... At critical vacancy concentration xc ≈ 12.5%, a percolation transition drives the majority-spin impurity band from flat, localized levels (W < 0.1 eV) to a dispersive 1.5 eV-wide band with 100% spin polarization and a minority-spin gap of 1.0 eV.","source":"verdict.strongest_claim","status":"machine_extracted","claim_id":"C1","attestation":"unclaimed"},{"kind":"weakest_assumption","text":"That the supercell-size dependence (2×2 cells showing antiferromagnetism while 4×4 cells show ferromagnetism) arises solely from the presence or absence of a spanning percolation cluster rather than from finite-size artifacts, boundary conditions, or other details of the underlying electronic-structure calculations.","source":"verdict.weakest_assumption","status":"machine_extracted","claim_id":"C2","attestation":"unclaimed"},{"kind":"one_line_summary","text":"Geometric percolation of Ti vacancies in 1T-TiS2 monolayers triggers half-metallic ferromagnetism at xc ≈ 12.5%, creating a functional window of 11% < x < 15% with 100% spin-polarized transport.","source":"verdict.one_line_summary","status":"machine_extracted","claim_id":"C3","attestation":"unclaimed"},{"kind":"headline","text":"Percolation of sulfur vacancies at roughly 12.5 percent concentration switches vacancy-doped titanium disulfide from an insulator to a half-metal.","source":"verdict.pith_extraction.headline","status":"machine_extracted","claim_id":"C4","attestation":"unclaimed"}],"snapshot_sha256":"b47a85b2b8da10cbb552eac68211a09767fa2d8671d3613a092006b7bb06c5fb"},"source":{"id":"2605.01754","kind":"arxiv","version":1},"verdict":{"id":"530764ac-f676-4507-97a2-edca7c326073","model_set":{"reader":"grok-4.3"},"created_at":"2026-05-10T15:40:47.081050Z","strongest_claim":"the insulator-to-half-metal transition is governed by universal geometric percolation of the defect network... At critical vacancy concentration xc ≈ 12.5%, a percolation transition drives the majority-spin impurity band from flat, localized levels (W < 0.1 eV) to a dispersive 1.5 eV-wide band with 100% spin polarization and a minority-spin gap of 1.0 eV.","one_line_summary":"Geometric percolation of Ti vacancies in 1T-TiS2 monolayers triggers half-metallic ferromagnetism at xc ≈ 12.5%, creating a functional window of 11% < x < 15% with 100% spin-polarized transport.","pipeline_version":"pith-pipeline@v0.9.0","weakest_assumption":"That the supercell-size dependence (2×2 cells showing antiferromagnetism while 4×4 cells show ferromagnetism) arises solely from the presence or absence of a spanning percolation cluster rather than from finite-size artifacts, boundary conditions, or other details of the underlying electronic-structure calculations.","pith_extraction_headline":"Percolation of sulfur vacancies at roughly 12.5 percent concentration switches vacancy-doped titanium disulfide from an insulator to a half-metal."},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2605.01754/integrity.json","findings":[],"available":true,"detectors_run":[{"name":"doi_compliance","ran_at":"2026-05-19T16:59:25.438209Z","status":"completed","version":"1.0.0","findings_count":0}],"snapshot_sha256":"49aae9371967dca19823c811d1d914679e21a239902b27152f70cf9a60e34c45"},"references":{"count":34,"sample":[{"doi":"","year":2024,"title":"R. A. de Groot, F. M. Mueller, P. G. van Engen, and K. H. J. Buschow, New class of materials: Half-metallic ferromagnets, Phys. Rev. Lett.50, 2024 (1983)","work_id":"af2ce524-5bc7-4ba7-a23d-3fae8a8f495d","ref_index":1,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":2001,"title":"S. A. Wolf, D. D. Awschalom, R. A. Buhrman, J. M. Daughton, S. von Molnár, M. L. Roukes, A. Y. Chtchelkanova, and D. M. Treger, Spintronics: A spin- based electronics vision for the future, Science294","work_id":"68c5794a-07c5-4c0a-b348-c71663608149","ref_index":2,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":2020,"title":"E. C. Ahn, 2d materials for spintronic devices, npj 2D Materials and Applications4(2020)","work_id":"20b1eb81-e6f1-4d0b-b44b-c64a3f40efde","ref_index":3,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":2020,"title":"Y. Liu, C. Zeng, J. Zhong, J. Ding, Z. M. Wang, and Z. Liu, Spintronics in two-dimensional materials, Nano- Micro Letters12(2020)","work_id":"1775e3a8-4e57-4146-bbad-14edb8518214","ref_index":4,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":2017,"title":"B. Huang, G. Clark, E. Navarro-Moratalla, D. R. Klein, R. Cheng, K. L. Seyler, D. Zhong, E. Schmidgall, M. A. McGuire, D. H. Cobden, W. Yao, D. Xiao, P. Jarillo- Herrero, and X. Xu, Layer-dependent fe","work_id":"88da9758-ef22-482c-80e5-3cef8e4a9fa6","ref_index":5,"cited_arxiv_id":"","is_internal_anchor":false}],"resolved_work":34,"snapshot_sha256":"7765105e1df1a3f60bca8d975bfb477d0a7ce06adfa9a655da848150b4b37864","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}