{"paper":{"title":"Local distortions as a source of piezoelectric/stiffness decoupling in B-doped AlScN","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Geoff L. Brennecka, Laszlo Wolf, Vladan Stevanovi\\'c","submitted_at":"2026-05-15T03:17:19Z","abstract_excerpt":"We present a first-principles analysis of the wurtzite pseudo-ternary (Al,Sc,B)N to elucidate the structural origin of a decoupling between stiffness $C_{33}$ and piezoelectric response $e_{33}$ upon boron incorporation, using DFT-relaxed 100-atom special quasirandom structures across a broad composition range. Pair distribution function analysis reveals interstitial threefold-coordinated boron atoms that have displaced from the tetrahedral cation site. Direct structural analysis establishes their preferential orientation along the $c$-axis and identifies a scandium-activated creation mechanis"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.15568","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2605.15568/integrity.json","findings":[],"available":true,"detectors_run":[{"name":"ai_meta_artifact","ran_at":"2026-05-19T19:34:35.256619Z","status":"skipped","version":"1.0.0","findings_count":0},{"name":"claim_evidence","ran_at":"2026-05-19T17:41:56.081050Z","status":"completed","version":"1.0.0","findings_count":0}],"snapshot_sha256":"63882f4fe679cb568aaccf4c7848127cdae5dd82e6ad4aa65e2f10d307bf8166"},"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"}