{"id":"W4297238220","doi":"10.1139/cjc-2022-0131","title":"Investigation into the photoluminescence and energy levels in bismuth-doped Sr<sub>3</sub>MgSi<sub>2</sub>O<sub>8</sub> through first principles calculations","year":2022,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Luminescence Properties of Advanced Materials","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Doping; Band gap; Bismuth; Photoluminescence; Semimetal; Crystal structure; Valence (chemistry); Electronic band structure; Luminescence; Crystallography; Condensed matter physics; Optoelectronics; Materials science; Physics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0009397044,0.0004198044,0.0005438697,0.0001605555,0.00096284,0.0003132643,0.0008297201,0.000165449,0.00008739925],"category_scores_gemma":[0.0008320586,0.0003813222,0.0001169217,0.0005530755,0.0007825267,0.0009105077,0.0002477026,0.0004658278,0.000007773665],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009202209,"about_ca_system_score_gemma":0.00206901,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002235272,"about_ca_topic_score_gemma":0.01605589,"domain_scores_codex":[0.9967385,0.000187066,0.001141794,0.0005551792,0.0006171045,0.0007603792],"domain_scores_gemma":[0.9974995,0.0001577543,0.0008340724,0.0005486534,0.0003161831,0.0006438531],"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":[0.00004074931,0.00002027581,0.0008256547,0.0001286523,0.0000169539,0.0001517163,0.002485443,0.001941657,0.9935828,0.00003748617,0.0003866256,0.0003819786],"study_design_scores_gemma":[0.0005912316,0.00004941733,0.001393117,0.0002441931,0.00003494734,0.0004445541,0.0008678694,0.0001290724,0.9933929,0.0005919698,0.001810378,0.0004503815],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959242,0.0008513192,0.00007319631,0.002034975,0.0006879839,0.0002014874,0.0001135999,0.00002896533,0.00008426029],"genre_scores_gemma":[0.9983864,0.0002035422,0.0003244542,0.0005322849,0.0003443855,0.00008863594,0.00002820091,0.00006121195,0.00003091655],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01382061,"threshold_uncertainty_score":0.9998639,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02425862312569502,"score_gpt":0.2133337782048122,"score_spread":0.1890751550791172,"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."}}