{"id":"W4380445808","doi":"10.1088/1361-648x/acde2b","title":"A DFT study of electron–phonon interactions for the <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>C</mml:mtext> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mtext>C</mml:mtext> <mml:mtext>N</mml:mtext> </mml:msub> </mml:math> and <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>V</mml:mtext> <mml:mtext>N</mml:mtext> </mml:msub> <mml:msub> <mml:mtext>N</mml:mtext> <mml:mtext>B</mml:mtext> </mml:msub> </mml:math> defects in hexagonal boron nitride: investigating the role of the transition dipole direction","year":2023,"lang":"en","type":"article","venue":"Journal of Physics Condensed Matter","topic":"Diamond and Carbon-based Materials Research","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hotchkiss Brain Institute; University of Calgary","funders":"Alberta Innovates; Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada","keywords":"Hexagonal boron nitride; Condensed matter physics; Phonon; Boron nitride; Dipole; Materials science; Hexagonal crystal system; Electron; Boron; Chemical physics; Chemistry; Crystallography; Nanotechnology; Physics; Graphene; Quantum mechanics","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":[0.0004195585,0.0004864884,0.0007099055,0.0005365533,0.0008797403,0.0005564908,0.001229484,0.001245546,0.009760325],"category_scores_gemma":[0.0006002314,0.0002409767,0.0006198573,0.0004003992,0.0005190973,0.0006254197,0.0005385225,0.000833197,0.0008447559],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007372076,"about_ca_system_score_gemma":0.0009413334,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01585257,"about_ca_topic_score_gemma":0.02356998,"domain_scores_codex":[0.9998584,0.00003744408,0.000004307813,0.000009794645,0.00004673869,0.00004339892],"domain_scores_gemma":[0.999645,0.0001547338,0.00002225206,0.00004757344,0.00008136159,0.0000489787],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005209834,0.0003723291,0.003612906,0.001073356,0.0001372053,0.001431242,0.0003897483,0.6961311,0.01753323,0.2280915,0.02445989,0.02624655],"study_design_scores_gemma":[0.00003088083,0.00002948702,0.0007626758,0.00002319742,0.000009828936,0.00002545154,0.00007742619,0.9928817,0.000782236,0.004636914,0.0007294896,0.00001081128],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8486106,0.002134326,0.04573835,0.003018965,0.000420868,0.0001408743,0.001392062,0.0004210324,0.09812295],"genre_scores_gemma":[0.9846246,0.0005514274,0.005439682,0.0002858759,0.00006129983,0.0001314538,0.0005716265,0.00009120976,0.008242894],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01585257,"threshold_uncertainty_score":0.03265154,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0195569761756623,"score_gpt":0.2614656106019768,"score_spread":0.2419086344263145,"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."}}