{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","research_integrity","insufficient_payload"],"category_scores_codex":[0.01135049,0.004777971,0.002964516,0.002990441,0.007360607,0.006324327,0.00887683,0.00587516,0.05452461],"category_scores_gemma":[0.004060278,0.006457511,0.00664658,0.006073924,0.006341503,0.007138799,0.005508889,0.008684641,0.005155703],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003970446,"about_ca_system_score_gemma":0.006526768,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006619859,"about_ca_topic_score_gemma":0.007742252,"domain_scores_codex":[0.9614658,0.003863355,0.009196666,0.006620205,0.009845616,0.009008412],"domain_scores_gemma":[0.9682848,0.007911863,0.01049874,0.007819071,0.001837636,0.003647841],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.01204217,0.005133192,0.0003223924,0.006512746,0.008243936,0.00310786,0.01572166,0.01421441,0.2528818,0.4820024,0.1872805,0.01253689],"study_design_scores_gemma":[0.01017392,0.006196622,0.0008028402,0.004838197,0.006002959,0.003642481,0.01106089,0.07946003,0.8600237,0.003378761,0.008149656,0.006269986],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9336712,0.00418674,0.00203458,0.003010687,0.008829109,0.001069735,0.002259027,0.001036764,0.04390218],"genre_scores_gemma":[0.9722787,0.002843683,0.002101087,0.004466868,0.006388013,0.005295983,0.002499259,0.003027372,0.001099048],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6071419,"threshold_uncertainty_score":0.9999952,"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."}}