{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2002:LSQLLGAW6RS65UNX366Q2DDQ45","short_pith_number":"pith:LSQLLGAW","schema_version":"1.0","canonical_sha256":"5ca0b59816f465eed1b7dfbd0d0c70e750a773f3673f51741e40997d82b6cc9c","source":{"kind":"arxiv","id":"cond-mat/0204335","version":2},"attestation_state":"computed","paper":{"title":"Anisotropic relaxations introduced by Cd impurities in Rutile TiO2: first-principles calculations and experimental support","license":"","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.soft","authors_text":"2), (2) Orsay, (3) Bonn, Argentina, France, Germany), G. Fabricius (1), L.A. Errico (1), M. Forker (3) ((1) La Plata, M. Renter\\'ia (1, P. de la Presa (3)","submitted_at":"2002-04-16T00:03:29Z","abstract_excerpt":"We present an ab initio study of the relaxations introduced in TiO2 when a Cd impurity substitutes a Ti atom and the experimental test of this calculation by a perturbed-angular-correlation (PAC) measurement of the orientation of the electric-field gradient (EFG) tensor at the Cd site. The ab-initio calculation predicts strong anisotropic relaxations of the nearest oxygen neighbors of the impurity and a change of the orientation of the largest EFG tensor component, V33, from the [001] to the [110] direction upon substitution of a Ti atom by a Cd impurity. The last prediction is confirmed by th"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"cond-mat/0204335","kind":"arxiv","version":2},"metadata":{"license":"","primary_cat":"cond-mat.soft","submitted_at":"2002-04-16T00:03:29Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"a3d031f571b6730f0f2ccf726e4739d9e92f8f8cff0b5ebb2c034eaa4626df3a","abstract_canon_sha256":"6b6a1f42caf85f50cdfc7bcc58d4d27c3e4150bb3505ff58e30ea047a24bcf5f"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:09:03.118222Z","signature_b64":"MwDjXuHtn8gl8x6cbaydsYwlDNhwhfEN2/Mfn0Ni6AfzZapsJXMZut+3D4aehEXzcF09lOtSHd2hRHhp/vbXDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"5ca0b59816f465eed1b7dfbd0d0c70e750a773f3673f51741e40997d82b6cc9c","last_reissued_at":"2026-05-18T01:09:03.117816Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:09:03.117816Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Anisotropic relaxations introduced by Cd impurities in Rutile TiO2: first-principles calculations and experimental support","license":"","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.soft","authors_text":"2), (2) Orsay, (3) Bonn, Argentina, France, Germany), G. Fabricius (1), L.A. Errico (1), M. Forker (3) ((1) La Plata, M. Renter\\'ia (1, P. de la Presa (3)","submitted_at":"2002-04-16T00:03:29Z","abstract_excerpt":"We present an ab initio study of the relaxations introduced in TiO2 when a Cd impurity substitutes a Ti atom and the experimental test of this calculation by a perturbed-angular-correlation (PAC) measurement of the orientation of the electric-field gradient (EFG) tensor at the Cd site. The ab-initio calculation predicts strong anisotropic relaxations of the nearest oxygen neighbors of the impurity and a change of the orientation of the largest EFG tensor component, V33, from the [001] to the [110] direction upon substitution of a Ti atom by a Cd impurity. The last prediction is confirmed by th"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0204335","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"},"aliases":[{"alias_kind":"arxiv","alias_value":"cond-mat/0204335","created_at":"2026-05-18T01:09:03.117879+00:00"},{"alias_kind":"arxiv_version","alias_value":"cond-mat/0204335v2","created_at":"2026-05-18T01:09:03.117879+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.cond-mat/0204335","created_at":"2026-05-18T01:09:03.117879+00:00"},{"alias_kind":"pith_short_12","alias_value":"LSQLLGAW6RS6","created_at":"2026-05-18T12:25:51.375804+00:00"},{"alias_kind":"pith_short_16","alias_value":"LSQLLGAW6RS65UNX","created_at":"2026-05-18T12:25:51.375804+00:00"},{"alias_kind":"pith_short_8","alias_value":"LSQLLGAW","created_at":"2026-05-18T12:25:51.375804+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45","json":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45.json","graph_json":"https://pith.science/api/pith-number/LSQLLGAW6RS65UNX366Q2DDQ45/graph.json","events_json":"https://pith.science/api/pith-number/LSQLLGAW6RS65UNX366Q2DDQ45/events.json","paper":"https://pith.science/paper/LSQLLGAW"},"agent_actions":{"view_html":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45","download_json":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45.json","view_paper":"https://pith.science/paper/LSQLLGAW","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=cond-mat/0204335&json=true","fetch_graph":"https://pith.science/api/pith-number/LSQLLGAW6RS65UNX366Q2DDQ45/graph.json","fetch_events":"https://pith.science/api/pith-number/LSQLLGAW6RS65UNX366Q2DDQ45/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45/action/timestamp_anchor","attest_storage":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45/action/storage_attestation","attest_author":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45/action/author_attestation","sign_citation":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45/action/citation_signature","submit_replication":"https://pith.science/pith/LSQLLGAW6RS65UNX366Q2DDQ45/action/replication_record"}},"created_at":"2026-05-18T01:09:03.117879+00:00","updated_at":"2026-05-18T01:09:03.117879+00:00"}