{"paper":{"title":"Impact of Four-Valent Doping on the Crystallographic Phase Formation for Ferroelectric HfO$_2$ from First-Principles: Implications for Ferroelectric Memory and Energy-Related Applications","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alfred Kersch, Christopher K\\\"unneth, Max Falkowski, Robin Materlik","submitted_at":"2017-10-27T19:41:12Z","abstract_excerpt":"The ferroelectric properties of nanoscale silicon doped HfO$_2$ promise a multitude of applications ranging from ferroelectric memory to energy-related applications. The reason for the unexpected behavior has not been clearly proven and presumably include contributions from size effects and doping effects. Silicon incorporation in HfO$_2$ is investigated computationally by first-principles using different density functional theory (DFT) methods. Formation energies of interstitial and substitutional silicon in HfO$_2$ paired with and without an oxygen vacancy prove the substitutional defect as "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1710.10312","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":""},"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"}