{"id":"W774984975","doi":"10.1103/physrevb.79.035413","title":"Interface energies of<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>100</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow><mml:mrow><mml:mtext>YSZ</mml:mtext></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>111</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow><mml:mrow><mml:mtext>YSZ</mml:mtext></mml:mrow></mml:msub></mml:mrow></mml:math>epitaxial islands on<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>0001</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow><mml:mrow><mml:mi>α</mml:mi><mml:msub><mml:mrow><mml:mtext>-Al</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:msub></mml:mrow></mml:math>substrates from first principles","year":2009,"lang":"lv","type":"article","venue":"Physical Review B","topic":"Electronic and Structural Properties of Oxides","field":"Materials Science","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Yttria-stabilized zirconia; Pseudopotential; Materials science; Ab initio; Density functional theory; Crystallography; Physics; Cubic zirconia; Condensed matter 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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.002209847,0.003685259,0.002129916,0.002368018,0.001804366,0.008370905,0.00494494,0.004156473,0.6880497],"category_scores_gemma":[0.007603228,0.001856155,0.002880989,0.002895397,0.0008496321,0.00733326,0.004904079,0.003617182,0.6107749],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00268032,"about_ca_system_score_gemma":0.002600133,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01424102,"about_ca_topic_score_gemma":0.01360368,"domain_scores_codex":[0.9984345,0.0002088951,0.0001580793,0.0002304563,0.0007514433,0.0002166589],"domain_scores_gemma":[0.9974267,0.0006149565,0.00006877803,0.0007564903,0.0008894443,0.0002437456],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001693852,0.00009498638,0.0002529492,0.0002878378,0.00002081442,0.0001017269,0.0001455911,0.0005236013,0.001611539,0.008767154,0.9550943,0.03292999],"study_design_scores_gemma":[0.00006422348,0.00001756737,0.0003786072,0.00007344651,0.00001251621,0.00008836129,0.00008790548,0.002187408,0.002505013,0.004803758,0.9897422,0.00003899421],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.001588854,0.0004799014,0.164528,0.002734001,0.002018845,0.001042461,0.1166031,0.234675,0.4763297],"genre_scores_gemma":[0.01290234,0.0009399269,0.05548287,0.002722688,0.0003930815,0.001596069,0.2457922,0.1187822,0.5613886],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.6880497,"threshold_uncertainty_score":0.4449593,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02035130797390071,"score_gpt":0.2543089989098409,"score_spread":0.2339576909359402,"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."}}