{"paper":{"title":"First-principles study of oxygen vacancy defects in orthorhombic Hf$_{0.5}$Zr$_{0.5}$O$_2$/SiO$_2$/Si gate stack","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.app-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Fengbin Tian, Hao Xu, Jiahui Duan, Jinjuan Xiang, Jun Luo, Junshuai Chai, Kai Han, Shujing Zhao, Tianchun Ye, Wenwu Wang, Xiaolei Wang, Yuanyuan Zhang","submitted_at":"2022-04-29T03:44:59Z","abstract_excerpt":"The gate defect of the ferroelectric HfO$_2$-based Si field-effect transistor (Si FeFET) plays a dominant role in its reliability issue. The first-principles calculations are an effective method for the atomic-scale understanding of gate defects. However, the first-principles study on the defects of FeFET gate stacks, i.e., metal/orthorhombic-Hf$_{0.5}$Zr$_{0.5}$O$_2$/SiO$_2$/Si structure, has not been reported so far. The key challenge is the construction of metal/orthorhombic-Hf$_{0.5}$Zr$_{0.5}$O$_2$/SiO$_2$/Si gate stack models. Here, we use the Hf$_{0.5}$Zr$_{0.5}$O$_2$(130) high-index cr"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2204.13864","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2204.13864/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","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"}