{"id":"https://openalex.org/W1977653154","doi":"https://doi.org/10.1016/s0042-207x(02)00721-2","title":"DFT calculations of (111) surfaces of Au, Cu, and Pt: stability and reconstruction","display_name":"DFT calculations of (111) surfaces of Au, Cu, and Pt: stability and reconstruction","publication_year":2003,"publication_date":"2003-04-24","ids":{"openalex":"https://openalex.org/W1977653154","doi":"https://doi.org/10.1016/s0042-207x(02)00721-2","mag":"1977653154"},"language":"en","primary_location":{"id":"doi:10.1016/s0042-207x(02)00721-2","doi":"https://doi.org/10.1016/s0042-207x(02)00721-2","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0042-207x(02)00721-2","pdf_url":null,"source":{"id":"https://openalex.org/S86481247","display_name":"Vacuum","issn_l":"0042-207X","issn":["0042-207X","1879-2715"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Vacuum","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5014377460","display_name":"\u017deljko Crljen","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I12323705","display_name":"The Abdus Salam International Centre for Theoretical Physics (ICTP)","ror":"https://ror.org/009gyvm78","country_code":"IT","type":"facility","lineage":["https://openalex.org/I12323705","https://openalex.org/I1286959531","https://openalex.org/I1293226324","https://openalex.org/I2801247003"]},{"id":"https://openalex.org/I4210123216","display_name":"Ru\u0111er Bo\u0161kovi\u0107 Institute","ror":"https://ror.org/02mw21745","country_code":"HR","type":"facility","lineage":["https://openalex.org/I4210123216"]}],"countries":["HR","IT"],"is_corresponding":false,"raw_author_name":"\u017d. Crljen","raw_affiliation_strings":["International Centre for Theoretical Physics, P.O. Box 586, Trieste, Italy","Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"International Centre for Theoretical Physics, P.O. Box 586, Trieste, Italy","institution_ids":["https://openalex.org/I12323705"]},{"raw_affiliation_string":"Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia","institution_ids":["https://openalex.org/I4210123216"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031061631","display_name":"D. \u0160ok\u010devi\u0107","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210123216","display_name":"Ru\u0111er Bo\u0161kovi\u0107 Institute","ror":"https://ror.org/02mw21745","country_code":"HR","type":"facility","lineage":["https://openalex.org/I4210123216"]}],"countries":["HR"],"is_corresponding":false,"raw_author_name":"D. \u0160ok\u010devi\u0107","raw_affiliation_strings":["Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia","institution_ids":["https://openalex.org/I4210123216"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004942342","display_name":"R. Brako","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210123216","display_name":"Ru\u0111er Bo\u0161kovi\u0107 Institute","ror":"https://ror.org/02mw21745","country_code":"HR","type":"facility","lineage":["https://openalex.org/I4210123216"]}],"countries":["HR"],"is_corresponding":true,"raw_author_name":"R. Brako","raw_affiliation_strings":["Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia","institution_ids":["https://openalex.org/I4210123216"]}]},{"author_position":"last","author":{"id":null,"display_name":"P. Lazi\u0107","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210123216","display_name":"Ru\u0111er Bo\u0161kovi\u0107 Institute","ror":"https://ror.org/02mw21745","country_code":"HR","type":"facility","lineage":["https://openalex.org/I4210123216"]}],"countries":["HR"],"is_corresponding":false,"raw_author_name":"P. Lazi\u0107","raw_affiliation_strings":["Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rudjer Bo\u0161kovi\u0107 Institute, P.O. Box 180, Zagreb 10002, Croatia","institution_ids":["https://openalex.org/I4210123216"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5004942342"],"corresponding_institution_ids":["https://openalex.org/I4210123216"],"apc_list":{"value":2860,"currency":"USD","value_usd":2860},"apc_paid":null,"fwci":1.3891,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.77833917,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"71","issue":"1-2","first_page":"101","last_page":"106"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13531","display_name":"Surface and Thin Film Phenomena","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T13531","display_name":"Surface and Thin Film Phenomena","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12285","display_name":"Surface Chemistry and Catalysis","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/au-111","display_name":"Au(111)","score":0.7860000133514404},{"id":"https://openalex.org/keywords/cu-111","display_name":"Cu(111)","score":1.0},{"id":"https://openalex.org/keywords/pt-111","display_name":"Pt(111)","score":0.9760000109672546},{"id":"https://openalex.org/keywords/111-surface","display_name":"(111) surface","score":0.8389999866485596},{"id":"https://openalex.org/keywords/surface-reconstruction","display_name":"surface reconstruction","score":0.9779999852180481},{"id":"https://openalex.org/keywords/surface-stability","display_name":"surface stability","score":0.8629999756813049},{"id":"https://openalex.org/keywords/surface-energy","display_name":"surface energy","score":0.8529999852180481},{"id":"https://openalex.org/keywords/effective-force-constants","display_name":"effective force constants","score":0.7670000195503235},{"id":"https://openalex.org/keywords/frenkel-kontorova-model","display_name":"Frenkel-Kontorova model","score":0.9660000205039978}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6320151686668396},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6081684827804565},{"id":"https://openalex.org/C72939318","wikidata":"https://www.wikidata.org/wiki/Q7646023","display_name":"Surface stress","level":3,"score":0.5861606001853943},{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.566102147102356},{"id":"https://openalex.org/C20885615","wikidata":"https://www.wikidata.org/wiki/Q825595","display_name":"Surface reconstruction","level":3,"score":0.5399041771888733},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.4764590561389923},{"id":"https://openalex.org/C17825722","wikidata":"https://www.wikidata.org/wiki/Q17285","display_name":"Plane (geometry)","level":2,"score":0.4500206410884857},{"id":"https://openalex.org/C195839","wikidata":"https://www.wikidata.org/wiki/Q901959","display_name":"Surface energy","level":2,"score":0.4384193420410156},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.42936185002326965},{"id":"https://openalex.org/C113740112","wikidata":"https://www.wikidata.org/wiki/Q5904738","display_name":"Slab","level":2,"score":0.4286395311355591},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.3995771110057831},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2992705702781677},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.28552621603012085},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.2504872977733612},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.22913050651550293},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.12256255745887756},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.10798177123069763},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C8058405","wikidata":"https://www.wikidata.org/wiki/Q46255","display_name":"Geophysics","level":1,"score":0.0},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0},{"id":"https://openalex.org/C77805123","wikidata":"https://www.wikidata.org/wiki/Q161272","display_name":"Social psychology","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/s0042-207x(02)00721-2","doi":"https://doi.org/10.1016/s0042-207x(02)00721-2","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0042-207x(02)00721-2","pdf_url":null,"source":{"id":"https://openalex.org/S86481247","display_name":"Vacuum","issn_l":"0042-207X","issn":["0042-207X","1879-2715"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Vacuum","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W1967417957","https://openalex.org/W1989056684","https://openalex.org/W1991149034","https://openalex.org/W1998866028","https://openalex.org/W1998938145","https://openalex.org/W2005688292","https://openalex.org/W2013399132","https://openalex.org/W2018314580","https://openalex.org/W2020544065","https://openalex.org/W2020690673","https://openalex.org/W2024269555","https://openalex.org/W2033100473","https://openalex.org/W2040489732","https://openalex.org/W2041119633","https://openalex.org/W2042140783","https://openalex.org/W2056506009","https://openalex.org/W2077080465","https://openalex.org/W2078374976","https://openalex.org/W3206606417"],"related_works":["https://openalex.org/W2070240428","https://openalex.org/W1576635636","https://openalex.org/W129942448","https://openalex.org/W2141190687","https://openalex.org/W2029036866","https://openalex.org/W2326349070","https://openalex.org/W2059302294","https://openalex.org/W2093901674","https://openalex.org/W1964726683","https://openalex.org/W2024269555"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}