{"id":"W2953709641","doi":"10.1021/acsomega.9b01330","title":"Tellurium Doping and the Structural, Electronic, and Optical Properties of NaYS<sub>2(1–<i>x</i>)</sub>Te<sub>2<i>x</i></sub>Alloys","year":2019,"lang":"en","type":"article","venue":"ACS Omega","topic":"Chalcogenide Semiconductor Thin Films","field":"Engineering","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University; Mount Saint Vincent University","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation","keywords":"Band gap; Doping; Ternary operation; Materials science; Density functional theory; Tellurium; Exciton; Alloy; Crystal (programming language); Analytical Chemistry (journal); Condensed matter physics; Optoelectronics; Chemistry; Physics; Computational chemistry","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":[0.0001697833,0.0002080114,0.0001492418,0.0002106096,0.000235712,0.0005014975,0.0002564139,0.000285257,0.001775132],"category_scores_gemma":[0.0008074805,0.0001737215,0.00008741284,0.0002176498,0.0003810163,0.0004058586,0.0002070578,0.0001940329,0.000321216],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002431607,"about_ca_system_score_gemma":0.0002239892,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001007527,"about_ca_topic_score_gemma":0.001379092,"domain_scores_codex":[0.9999007,0.00001867272,0.000008890191,0.00001978154,0.00003983707,0.0000120794],"domain_scores_gemma":[0.9997205,0.00009129829,0.0000898478,0.00002262498,0.00005383143,0.00002182927],"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":[0.0004553576,0.00005184666,0.009779245,0.0001081754,0.00004143787,0.0001160628,0.0001291204,0.0007306885,0.9801618,0.002976468,0.0001337376,0.005316019],"study_design_scores_gemma":[0.00001159269,0.0002156216,0.02156359,0.000008433904,0.00004277057,0.0002360031,0.0001999119,0.005521005,0.9699136,0.001091109,0.001184192,0.00001229],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954709,0.0006949953,0.0007033087,0.00008574352,0.000009029625,0.000006265898,0.000112385,0.0000152847,0.002902005],"genre_scores_gemma":[0.9981987,0.0002840993,0.0003236326,0.00001308238,0.000005864601,0.000004601567,0.0001131692,0.000006519975,0.001050334],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001775132,"threshold_uncertainty_score":0.00593847,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007011211630062203,"score_gpt":0.1764241913374291,"score_spread":0.1694129797073669,"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."}}