{"id":"W2071727415","doi":"10.1103/physrevb.72.073306","title":"<i>Ab initio</i>study of Jahn-Teller distortions for the divacancy in silicon","year":2005,"lang":"en","type":"article","venue":"Physical Review B","topic":"Semiconductor materials and devices","field":"Engineering","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Regroupement Québécois sur les Matériaux de Pointe","funders":"","keywords":"Jahn–Teller effect; Ab initio; Silicon; Atomic physics; Distortion (music); Pairing; Ab initio quantum chemistry methods; Physics; Density functional theory; Materials science; Condensed matter physics; Molecular physics; Ion; Quantum mechanics; Molecule; Superconductivity","routes":{"ca_aff":true,"ca_fund":false,"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":[0.000406496,0.0003814975,0.0005699183,0.0004446009,0.001070242,0.000476976,0.0009661719,0.0005543312,0.002866706],"category_scores_gemma":[0.0005703864,0.0002386994,0.0003208613,0.0005703059,0.0006955469,0.0006957979,0.0002655068,0.0007597347,0.0002510484],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006923496,"about_ca_system_score_gemma":0.0005638811,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005899863,"about_ca_topic_score_gemma":0.004828154,"domain_scores_codex":[0.9998984,0.00002366547,0.000004557027,0.00000962449,0.00004622148,0.00001750773],"domain_scores_gemma":[0.9997779,0.00009786746,0.0000270351,0.00003140829,0.00005337163,0.00001242605],"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":[0.0003279728,0.0002167226,0.004015459,0.001972622,0.0001350962,0.0009269572,0.0007773636,0.5698268,0.05162507,0.3165797,0.006692918,0.04690329],"study_design_scores_gemma":[0.0000643141,0.0001215411,0.001325979,0.00004770311,0.00001809984,0.0001492088,0.0001274356,0.948413,0.02072901,0.02512823,0.003829099,0.00004642525],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9326153,0.003663277,0.02795218,0.002016978,0.0001983768,0.00006739519,0.0005808646,0.0004206912,0.032485],"genre_scores_gemma":[0.981024,0.001561314,0.01426369,0.0001208933,0.00006713367,0.00005521265,0.0003042668,0.0001059219,0.00249748],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005899863,"threshold_uncertainty_score":0.01173109,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02845594977845397,"score_gpt":0.3054818698315859,"score_spread":0.277025920053132,"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."}}