{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaresearch","metaepi_narrow","metaepi_broad","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","open_science","research_integrity","insufficient_payload"],"category_scores_codex":[0.01410433,0.008488173,0.003273706,0.005281293,0.01156721,0.01349,0.01977284,0.01786704,0.9171918],"category_scores_gemma":[0.01594177,0.01723496,0.01635004,0.0105806,0.01650738,0.01274077,0.01684239,0.01486245,0.01622963],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002372358,"about_ca_system_score_gemma":0.01378707,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01414842,"about_ca_topic_score_gemma":0.01581976,"domain_scores_codex":[0.929257,0.005048379,0.01457999,0.01418719,0.0181583,0.01876912],"domain_scores_gemma":[0.9422371,0.01291256,0.01728016,0.01506853,0.002097857,0.01040372],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0115427,0.002485361,0.00005881086,0.00793009,0.01084338,0.008465485,0.005601079,0.006041034,0.0137902,0.3554064,0.5710672,0.006768287],"study_design_scores_gemma":[0.01089281,0.0110651,0.0004047352,0.01103796,0.01330997,0.01122722,0.008019131,0.0462633,0.8493559,0.000457169,0.02401412,0.01395254],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.3161541,0.01231923,0.002001755,0.003311494,0.0126581,0.0003590047,0.004224211,0.001938549,0.6470336],"genre_scores_gemma":[0.9115083,0.01881619,0.00717917,0.009270715,0.01470849,0.0127861,0.01467366,0.008514048,0.002543324],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.9009622,"threshold_uncertainty_score":0.9935009,"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."}}