{"id":"W3013242634","doi":"10.1139/cjp-2019-0558","title":"Tailoring electronic and optical properties of LaAlO<sub>3</sub> by Cu inclusion: a DFT study","year":2020,"lang":"en","type":"article","venue":"Canadian Journal of Physics","topic":"Electronic and Structural Properties of Oxides","field":"Materials Science","cited_by":29,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Physics; Doping; Density functional theory; Band gap; Absorption edge; Condensed matter physics; Valence (chemistry); Context (archaeology); Electronic structure; Refractive index; Redshift; Density of states; Electronic band structure; Optoelectronics; Quantum mechanics","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":[],"consensus_categories":[],"category_scores_codex":[0.000202408,0.0001320537,0.0002977737,0.00002922415,0.000232124,0.00005799013,0.0002713303,0.00003504633,0.00001190637],"category_scores_gemma":[0.00008323958,0.00009861281,0.0000512836,0.0001117301,0.0001718276,0.000297888,0.00009721324,0.0002663761,0.000003886326],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001142668,"about_ca_system_score_gemma":0.0009128198,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004766258,"about_ca_topic_score_gemma":0.0009262325,"domain_scores_codex":[0.9988606,0.00005353556,0.0003211779,0.0001423291,0.0002361,0.0003862828],"domain_scores_gemma":[0.9991906,0.00001506914,0.0001608017,0.00009021856,0.0001440062,0.0003992793],"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":[0.00005495379,0.00001500257,0.000559682,0.00003318666,0.0000261846,0.00001617237,0.002590645,0.00004225172,0.993113,0.0005069074,0.0002065753,0.002835368],"study_design_scores_gemma":[0.0004630956,0.00129284,0.0005092704,0.00005860582,0.00004740747,0.00002586905,0.0006884696,0.00009874324,0.9954062,0.001033558,0.0002144312,0.0001615397],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996058,0.002871702,0.00004883343,0.000790057,0.00006844654,0.0001154168,0.000004307094,0.000005668228,0.00003752271],"genre_scores_gemma":[0.9996052,0.0000367512,0.00003793397,0.0001129285,0.0001859836,0.000001259949,3.698821e-7,0.00001423004,0.000005311506],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003547185,"threshold_uncertainty_score":0.4021314,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01664193515572781,"score_gpt":0.1997249520627307,"score_spread":0.1830830169070029,"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."}}