{"id":"W3049516467","doi":"10.1103/physrevb.103.165406","title":"<i>Ab initio</i> thermoelectric calculations of ring-shaped bands in two-dimensional <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:msub><mml:mi>Bi</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Te</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mo>,</mml:mo><mml:mspace width=\"0.28em\"/><mml:msub><mml:mi>Bi</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Se</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>, and <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:msub><mml:mi>Sb</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Te</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>: Comparison of scattering approximations","year":2021,"lang":"lv","type":"article","venue":"Physical review. B./Physical review. B","topic":"Advanced Thermoelectric Materials and Devices","field":"Materials Science","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Defense Advanced Research Projects Agency","keywords":"Scattering; Thermoelectric effect; Ring (chemistry); Condensed matter physics; Thermoelectric materials; Seebeck coefficient; Physics; Materials science; Molecular physics; Chemistry; 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":[0.0006413879,0.0006555736,0.001051472,0.0008671134,0.00116199,0.001177235,0.001962725,0.001221248,0.01815513],"category_scores_gemma":[0.0009108099,0.0006327297,0.001033459,0.001296072,0.0005583591,0.00162668,0.0008126535,0.0016142,0.003103654],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001084422,"about_ca_system_score_gemma":0.0008729292,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007278596,"about_ca_topic_score_gemma":0.01201184,"domain_scores_codex":[0.9997618,0.00005304066,0.000008872795,0.00001862499,0.0001051152,0.00005258093],"domain_scores_gemma":[0.9995889,0.0001270315,0.00003156247,0.00009315618,0.0001235669,0.00003582559],"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":[0.0003974037,0.0001399166,0.0009500791,0.001097483,0.0001182022,0.0004114078,0.0003085514,0.6824782,0.01438103,0.1987192,0.07762858,0.02336993],"study_design_scores_gemma":[0.00006295919,0.000021598,0.0004458867,0.00003256013,0.00001274227,0.00002252043,0.00005796323,0.9776798,0.004549382,0.01190401,0.005183025,0.00002756878],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.4249451,0.004515984,0.1898039,0.006024891,0.001331611,0.0001954997,0.008650512,0.004917288,0.3596152],"genre_scores_gemma":[0.8641179,0.001802491,0.07532422,0.0008620151,0.0001512082,0.0004819811,0.004471148,0.002831073,0.04995801],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01815513,"threshold_uncertainty_score":0.06073493,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02307846418465403,"score_gpt":0.2862891227477735,"score_spread":0.2632106585631194,"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."}}