{"id":"W2621535824","doi":"10.1021/acs.jpcc.7b03814","title":"Designing Luminescent Materials and Band Gaps: A Soft X-ray Spectroscopy and Density Functional Theory Study of Li<sub>2</sub>Ca<sub>2</sub>[Mg<sub>2</sub>Si<sub>2</sub>N<sub>6</sub>]:Eu<sup>2+</sup> and Ba[Li<sub>2</sub>(Al<sub>2</sub>Si<sub>2</sub>)N<sub>6</sub>]:Eu<sup>2+</sup>","year":2017,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Luminescence Properties of Advanced Materials","field":"Materials Science","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Deutscher Akademischer Austauschdienst","keywords":"Phosphor; Density functional theory; Luminescence; Band gap; Materials science; Doping; Spectroscopy; Context (archaeology); Characterization (materials science); Optoelectronics; Chemistry; Physics; Nanotechnology; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","sts","scholarly_communication","open_science","research_integrity"],"consensus_categories":["metaepi_narrow","sts","research_integrity"],"category_scores_codex":[0.012778,0.008510062,0.0109525,0.00176379,0.006373919,0.004997914,0.007055916,0.003263172,0.0001112161],"category_scores_gemma":[0.00573503,0.007745195,0.002720198,0.002524665,0.008252837,0.007944206,0.005706729,0.006312894,0.0007631907],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002820406,"about_ca_system_score_gemma":0.00284082,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001019315,"about_ca_topic_score_gemma":0.0001375732,"domain_scores_codex":[0.9596516,0.004844464,0.01012194,0.00814346,0.008589287,0.008649252],"domain_scores_gemma":[0.9675536,0.004243283,0.01112148,0.007478066,0.004534684,0.005068847],"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":[0.01330522,0.00557075,0.0009270055,0.003604145,0.002393046,0.001173543,0.004593005,0.003297967,0.9560971,0.00008011636,0.004219065,0.004738987],"study_design_scores_gemma":[0.01524079,0.003576342,0.003468194,0.004157832,0.004456255,0.00291671,0.003891657,0.001256237,0.9505289,0.002796696,0.000136538,0.007573879],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.982241,0.002459399,0.00123817,0.001325804,0.003266118,0.006425946,0.001757719,0.001137591,0.0001482745],"genre_scores_gemma":[0.9799643,0.007140003,0.0004971068,0.001312177,0.00796742,0.0008345324,0.0004907153,0.001770405,0.00002331695],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008232305,"threshold_uncertainty_score":0.9983164,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01230432766649954,"score_gpt":0.2348277869288741,"score_spread":0.2225234592623746,"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."}}