{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001041462,0.0002476583,0.0002074973,0.0004248747,0.000255653,0.000312755,0.0003665606,0.0002435944,0.0008035421],"category_scores_gemma":[0.0003378665,0.0001468665,0.000144951,0.0002958172,0.0001810031,0.0001742196,0.0001814252,0.0001219983,0.000112505],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003846428,"about_ca_system_score_gemma":0.0002753151,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002216064,"about_ca_topic_score_gemma":0.002964921,"domain_scores_codex":[0.9999363,0.000006230415,0.00000347019,0.00001065167,0.00003272921,0.00001057419],"domain_scores_gemma":[0.9999405,0.00002248226,0.00001196712,0.000004028802,0.00001701411,0.000004061912],"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":[0.0007169709,0.0001328207,0.02822617,0.0007418523,0.0001255108,0.000655789,0.0002058547,0.2054677,0.7064713,0.02570929,0.000561147,0.03098563],"study_design_scores_gemma":[0.00008786416,0.0003822707,0.0177053,0.00006185236,0.0001264128,0.0002527015,0.0002271143,0.4929453,0.4789459,0.005430932,0.003800774,0.00003354232],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9915619,0.0006132916,0.003305433,0.00003385466,0.00002019643,0.000007395437,0.0001169827,0.0000375393,0.004303315],"genre_scores_gemma":[0.9984058,0.0001053934,0.001153973,0.000003884537,0.00000122012,0.000003450073,0.00006032913,0.000006438956,0.0002595222],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002216064,"threshold_uncertainty_score":0.004406273,"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."}}