{"id":"W4410836991","doi":"10.1039/d5cp00644a","title":"First-principles investigation of a two-dimensional magnesium carbide monolayer: tunable bandgap, light carriers, and strain-induced topological and semiconductor-to-metal transitions","year":2025,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"MXene and MAX Phase Materials","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada","funders":"National Research Council Canada; Natural Sciences and Engineering Research Council of Canada","keywords":"Monolayer; Semiconductor; Materials science; Magnesium; Band gap; Silicon carbide; Strain (injury); Carbide; Metal; Wide-bandgap semiconductor; Condensed matter physics; Optoelectronics; Topology (electrical circuits); Nanotechnology; Physics; Metallurgy; Electrical engineering; Engineering","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"],"consensus_categories":[],"category_scores_codex":[0.000113535,0.0002852054,0.0005093752,0.00001904996,0.0001185872,0.00005343214,0.000175277,0.0001187548,0.0000567877],"category_scores_gemma":[0.00008117317,0.000262094,0.00008812211,0.0001923931,0.0002304209,0.0001518371,0.0002030504,0.0001643625,0.000003512499],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004865902,"about_ca_system_score_gemma":0.0000989674,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007789638,"about_ca_topic_score_gemma":0.000001768257,"domain_scores_codex":[0.9984982,0.00003544681,0.0003440029,0.0005666084,0.0002301219,0.0003256233],"domain_scores_gemma":[0.9991272,0.0001330813,0.00009790244,0.0002801225,0.0001065758,0.0002551145],"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":[0.00005149869,0.0001241961,0.00005060785,0.0003261871,0.00001873489,0.000002649321,0.0002813566,0.0001856365,0.9972608,0.001614209,0.00006237419,0.00002173782],"study_design_scores_gemma":[0.0006925533,0.00003402157,0.00008958535,0.00005413309,0.00009705295,0.00000457024,0.00004539059,0.001118626,0.986093,0.01149072,0.00002554879,0.0002548316],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9982311,0.00003546635,0.00003190929,0.000720865,0.00005972415,0.0001992899,0.0001923915,0.0000634899,0.0004657399],"genre_scores_gemma":[0.9987624,0.000001308738,0.0006211117,0.0001783303,0.000284623,0.000046492,0.00004563142,0.00001543609,0.00004471557],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01116785,"threshold_uncertainty_score":0.9999831,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02182785144188406,"score_gpt":0.2568075706049437,"score_spread":0.2349797191630597,"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."}}