{"id":"W4205207911","doi":"10.21203/rs.3.rs-1216994/v1","title":"Electronic, Magnetic and Optical Properties of Transition Metal Doped Nd2O3: A DFT Insight","year":2022,"lang":"en","type":"preprint","venue":"Research Square","topic":"Magnetic and transport properties of perovskites and related materials","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"La Cité Collégiale","funders":"","keywords":"Density functional theory; Doping; Sesquioxide; Transition metal; Materials science; Condensed matter physics; Electronic structure; Magnetization; Density of states; Metal; Computational chemistry; Chemistry; Magnetic field; Physics; Optoelectronics; 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":[0.0002841216,0.0004376207,0.0005085783,0.0004199316,0.0006105601,0.0007851255,0.001155172,0.0006974832,0.004920084],"category_scores_gemma":[0.0004589755,0.0002168316,0.000335436,0.0004711454,0.0005656196,0.0008184392,0.0004365842,0.0005908765,0.0003649425],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006804798,"about_ca_system_score_gemma":0.000546891,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004190667,"about_ca_topic_score_gemma":0.008794379,"domain_scores_codex":[0.9999197,0.00001469969,0.000003308858,0.000007121457,0.00003573053,0.00001940952],"domain_scores_gemma":[0.9999105,0.00003333125,0.00000883399,0.00002055893,0.00001734127,0.000009520209],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005439095,0.0006488244,0.004300909,0.001047837,0.0001098891,0.0008704042,0.0002772005,0.1802465,0.05955274,0.7045957,0.01022838,0.03757773],"study_design_scores_gemma":[0.0001315177,0.00007346594,0.003575626,0.00008454056,0.00003760975,0.0001609022,0.0002719981,0.8558803,0.008786012,0.1259827,0.004992072,0.00002316369],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7907769,0.003757374,0.03203612,0.00516788,0.0002743447,0.00007879492,0.001300762,0.0003401708,0.1662676],"genre_scores_gemma":[0.9869421,0.0009905908,0.005178935,0.0003487408,0.00006451632,0.00003305772,0.0003877692,0.00004743173,0.00600685],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004920084,"threshold_uncertainty_score":0.01645935,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03619273660360224,"score_gpt":0.2930531317924986,"score_spread":0.2568603951888964,"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."}}