{"id":"W1997985339","doi":"10.1103/physrevb.70.205202","title":"Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical calculations","year":2004,"lang":"en","type":"article","venue":"Physical Review B","topic":"Silicon and Solar Cell Technologies","field":"Engineering","cited_by":83,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Regroupement Québécois sur les Matériaux de Pointe","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Vacancy defect; Dangling bond; Diffusion; Silicon; Condensed matter physics; Materials science; Physics; Thermodynamics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006021856,0.000448521,0.0007606047,0.0006179028,0.0007605496,0.0007845628,0.0009725249,0.001248824,0.001337063],"category_scores_gemma":[0.001443773,0.0004683428,0.0005335568,0.0006315464,0.00112951,0.0008322845,0.0004947605,0.0006038463,0.0001289472],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001002709,"about_ca_system_score_gemma":0.0009961496,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005665525,"about_ca_topic_score_gemma":0.006285415,"domain_scores_codex":[0.9998404,0.00005440518,0.000004589927,0.00001239287,0.00005150036,0.0000367056],"domain_scores_gemma":[0.999368,0.0004262774,0.00004019956,0.00006551221,0.00006388882,0.00003620471],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00009798841,0.0001127161,0.001131979,0.0001031926,0.00003495404,0.0001751959,0.00009408816,0.9617687,0.003787216,0.02772635,0.0005463538,0.004421337],"study_design_scores_gemma":[0.00002591692,0.00001922096,0.0001587886,0.000003297542,0.0000029631,0.00000659352,0.00001639385,0.9960598,0.0002921926,0.00329578,0.0001131656,0.000005876452],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9579124,0.0003463439,0.0322222,0.0004999202,0.00002959588,0.00006425105,0.0002006173,0.0001606553,0.008564075],"genre_scores_gemma":[0.9807559,0.0002000486,0.01775543,0.00008504651,0.00001896785,0.0001008074,0.0001454714,0.00005329266,0.0008850723],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005665525,"threshold_uncertainty_score":0.01126504,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02124424337694279,"score_gpt":0.2761737477884968,"score_spread":0.254929504411554,"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."}}