{"id":"W2963829757","doi":"10.1021/jp411219z","title":"Local Structure of Fe Impurity Atoms in ZnO: Bulk versus Surface","year":2014,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"ZnO doping and properties","field":"Materials Science","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Basic Energy Sciences; Russian Academy of Sciences; Western Economic Diversification Canada; Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; National Science Council; Office of Science; Russian Foundation for Basic Research; University of Saskatchewan; Canadian Light Source; U.S. Department of Energy","keywords":"Isostructural; Impurity; Ferromagnetism; Materials science; Substitution (logic); Doping; Density functional theory; Interstitial defect; Oxygen; Crystallography; Phase (matter); Chemical physics; Condensed matter physics; Chemistry; Computational chemistry; Crystal structure","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003265274,0.00009065878,0.0002368674,0.000005412536,0.0000334394,0.00001387364,0.0003599751,0.00004424859,0.00006719906],"category_scores_gemma":[0.00009908325,0.00005188215,0.00006458026,0.00006810666,0.0002059513,0.00006659814,0.00005681031,0.0002569492,0.000005500271],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003215681,"about_ca_system_score_gemma":0.00004697788,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004028096,"about_ca_topic_score_gemma":0.00000224246,"domain_scores_codex":[0.9992152,0.00008414823,0.0002235935,0.00006792154,0.0002662292,0.0001429101],"domain_scores_gemma":[0.9992879,0.0002085293,0.0002040511,0.0001720241,0.00007531141,0.00005215741],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000325807,0.00004301635,0.00002392239,0.00005760027,0.000006200712,8.762663e-7,0.000384587,0.01495658,0.983979,0.0000338443,0.00006602454,0.0001225352],"study_design_scores_gemma":[0.0004944681,0.0001252721,0.0001344655,0.00005760374,0.00001576006,0.00001200274,0.0001110313,0.00435331,0.9933639,0.001131231,0.0001359659,0.00006495839],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9992808,0.00008567354,0.0000635848,0.0001597914,0.0000967474,0.00001746492,0.000005140021,0.000005042702,0.0002857372],"genre_scores_gemma":[0.9996447,0.000004052906,0.0000523911,0.00001220143,0.0002511702,6.16868e-8,3.476338e-7,0.000005912897,0.00002917722],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01060327,"threshold_uncertainty_score":0.2115693,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01107759239277979,"score_gpt":0.2420611568369125,"score_spread":0.2309835644441327,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}