{"paper":{"title":"The impact of charge compensated and uncompensated strontium defects on the stabilization of the ferroelectric phase in HfO$_2$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.app-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alfred Kersch, Christopher K\\\"unneth, Robin Materlik, Thomas Mikolajick","submitted_at":"2017-08-25T15:31:58Z","abstract_excerpt":"Different dopants with their specific dopant concentration can be utilized to produce ferroelectric HfO$_2$ thin films. In this work it is explored for the example of Sr in a comprehensive first-principles study. Density functional calculations reveal structure, formation energy and total energy of the Sr related defects in HfO$_2$. We found the charge compensated defect including an associated oxygen vacancy Sr$_\\text{Hf}$V$_\\text{O}$ to strongly favour the non-ferroelectric, tetragonal P4$_\\text{2}$/mnc phase energetically. In contrast, the uncompensated defect without oxygen vacancy Sr$_\\te"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1708.07778","kind":"arxiv","version":1},"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"}