{"id":"W2580649448","doi":"10.1038/srep41567","title":"Composition dependent band offsets of ZnO and its ternary alloys","year":2017,"lang":"en","type":"article","venue":"Scientific Reports","topic":"ZnO doping and properties","field":"Materials Science","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"National Natural Science Foundation of China-Guangdong Joint Fund; National Natural Science Foundation of China","keywords":"Ternary operation; Wurtzite crystal structure; Heterojunction; Band gap; Materials science; Electronic band structure; Impurity; Condensed matter physics; Coherent potential approximation; Semimetal; Density functional theory; Direct and indirect band gaps; Electronic structure; Tin; Zinc; Optoelectronics; Chemistry; Computational chemistry; Physics; Metallurgy","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001092032,0.00007792197,0.0001378588,0.00004838566,0.0006069802,0.0004982448,0.0001724889,0.00003702968,0.0001354893],"category_scores_gemma":[0.00008383962,0.00006111585,0.00002745362,0.0000218068,0.0002690216,0.0003423844,0.0001215293,0.00003798019,0.00003259107],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001197066,"about_ca_system_score_gemma":0.00004765559,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000112515,"about_ca_topic_score_gemma":0.00001584383,"domain_scores_codex":[0.9988041,0.00003381526,0.0002786793,0.0003876984,0.0003425092,0.000153202],"domain_scores_gemma":[0.9987918,0.00001086023,0.0003640871,0.0006438273,0.0001245528,0.00006491051],"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":[0.00001125812,0.00002535486,0.005485127,0.00004546582,0.000003063491,0.00009910902,0.0002334786,0.00003877057,0.9928406,0.00003809194,0.0009172415,0.0002624281],"study_design_scores_gemma":[0.0000854173,0.00002621634,0.01142922,0.00009803804,0.00000967086,0.0002488192,0.00001404426,0.0004061993,0.9850947,0.001162913,0.001332729,0.00009209352],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9921829,0.0003493806,0.00001861481,0.0001519763,0.004725857,0.0001154258,0.00000469102,0.00002562583,0.002425607],"genre_scores_gemma":[0.9972564,0.000008253113,0.0001585792,0.000009529665,0.00004193469,0.000003489149,0.000005993687,0.000005442205,0.002510362],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007745969,"threshold_uncertainty_score":0.4804586,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02798234762912999,"score_gpt":0.2636331612840399,"score_spread":0.2356508136549099,"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."}}