{"id":"https://openalex.org/W2010960015","doi":"https://doi.org/10.1103/physrevb.44.6590","title":"Angular forces in group-VI transition metals: Application to W(100)","display_name":"Angular forces in group-VI transition metals: Application to W(100)","publication_year":1991,"publication_date":"1991-10-01","ids":{"openalex":"https://openalex.org/W2010960015","doi":"https://doi.org/10.1103/physrevb.44.6590","mag":"2010960015","pmid":"https://pubmed.ncbi.nlm.nih.gov/9998532"},"language":"en","primary_location":{"id":"doi:10.1103/physrevb.44.6590","doi":"https://doi.org/10.1103/physrevb.44.6590","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevb.44.6590","pdf_url":null,"source":{"id":"https://openalex.org/S4210174675","display_name":"Physical review. B, Condensed matter","issn_l":"0163-1829","issn":["0163-1829","1095-3795"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","ki-jl-2"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"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/A5069656520","display_name":"Anders E Carlsson","orcid":"https://orcid.org/0000-0003-2535-8714","observed_orcids":["https://orcid.org/0000-0003-2535-8714"]},"institutions":[{"id":"https://openalex.org/I204465549","display_name":"Washington University in St. Louis","ror":"https://ror.org/01yc7t268","country_code":"US","type":"education","lineage":["https://openalex.org/I204465549"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"A. E. Carlsson","raw_affiliation_strings":["Department of Physics, Washington University, St. Louis, Missouri 63130","Department of Physics, Washington University, St. Louis, M\u00ecssouri 63130"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Washington University, St. Louis, Missouri 63130","institution_ids":["https://openalex.org/I204465549"]},{"raw_affiliation_string":"Department of Physics, Washington University, St. Louis, M\u00ecssouri 63130","institution_ids":["https://openalex.org/I204465549"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5069656520"],"corresponding_institution_ids":["https://openalex.org/I204465549"],"apc_list":null,"apc_paid":null,"fwci":5.4954,"has_fulltext":false,"cited_by_count":121,"citation_normalized_percentile":{"value":0.96746513,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":100},"biblio":{"volume":"44","issue":"13","first_page":"6590","last_page":"6597"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13531","display_name":"Surface and Thin Film Phenomena","score":0.9735999703407288,"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":0.9735999703407288,"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/T13645","display_name":"Thermodynamic and Structural Properties of Metals and Alloys","score":0.008500000461935997,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.008200000040233135,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/group-vi-transition-metals","display_name":"group VI transition metals","score":0.9259999990463257},{"id":"https://openalex.org/keywords/tungsten","display_name":"tungsten","score":0.8939999938011169},{"id":"https://openalex.org/keywords/chromium","display_name":"chromium","score":0.6320000290870667},{"id":"https://openalex.org/keywords/molybdenum","display_name":"molybdenum","score":1.0},{"id":"https://openalex.org/keywords/tight-binding-model","display_name":"tight-binding model","score":0.8050000071525574},{"id":"https://openalex.org/keywords/moment-analysis","display_name":"moment analysis","score":0.7900000214576721},{"id":"https://openalex.org/keywords/vacancy-formation-energy","display_name":"vacancy formation energy","score":0.8230000138282776},{"id":"https://openalex.org/keywords/surface-reconstruction","display_name":"surface reconstruction","score":0.6800000071525574},{"id":"https://openalex.org/keywords/w-100-surface","display_name":"W(100) surface","score":0.8450000286102295},{"id":"https://openalex.org/keywords/c-2x2-reconstruction","display_name":"c(2x2) reconstruction","score":0.8949999809265137},{"id":"https://openalex.org/keywords/cutoff-radius","display_name":"cutoff radius","score":0.5220000147819519},{"id":"https://openalex.org/keywords/many-body-interactions","display_name":"many-body interactions","score":0.5289999842643738}],"concepts":[{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.7150609493255615},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.6417561173439026},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.5756087303161621},{"id":"https://openalex.org/C2778217198","wikidata":"https://www.wikidata.org/wiki/Q556977","display_name":"Cutoff","level":2,"score":0.5478649735450745},{"id":"https://openalex.org/C178635117","wikidata":"https://www.wikidata.org/wiki/Q747499","display_name":"RADIUS","level":2,"score":0.5181444883346558},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.4857216477394104},{"id":"https://openalex.org/C155675718","wikidata":"https://www.wikidata.org/wiki/Q161254","display_name":"Angular momentum","level":2,"score":0.4628777503967285},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.46177470684051514},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.4603639841079712},{"id":"https://openalex.org/C114221277","wikidata":"https://www.wikidata.org/wiki/Q899743","display_name":"Vacancy defect","level":2,"score":0.4396817982196808},{"id":"https://openalex.org/C180205008","wikidata":"https://www.wikidata.org/wiki/Q159190","display_name":"Amplitude","level":2,"score":0.43853652477264404},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.3211933970451355},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2557598948478699},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.2270427942276001},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.14716646075248718},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.13691136240959167},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1103/physrevb.44.6590","doi":"https://doi.org/10.1103/physrevb.44.6590","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevb.44.6590","pdf_url":null,"source":{"id":"https://openalex.org/S4210174675","display_name":"Physical review. B, Condensed matter","issn_l":"0163-1829","issn":["0163-1829","1095-3795"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","ki-jl-2"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},{"id":"pmid:9998532","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/9998532","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical review. B, Condensed matter","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":36,"referenced_works":["https://openalex.org/W1531048833","https://openalex.org/W1965336821","https://openalex.org/W1973052682","https://openalex.org/W1977006445","https://openalex.org/W1980911531","https://openalex.org/W1984112249","https://openalex.org/W1984118521","https://openalex.org/W1987947645","https://openalex.org/W1988098778","https://openalex.org/W1991786581","https://openalex.org/W1991862993","https://openalex.org/W2003916574","https://openalex.org/W2004349733","https://openalex.org/W2006009797","https://openalex.org/W2012097306","https://openalex.org/W2012233119","https://openalex.org/W2013774806","https://openalex.org/W2018648530","https://openalex.org/W2024321290","https://openalex.org/W2025995488","https://openalex.org/W2027079085","https://openalex.org/W2033086537","https://openalex.org/W2041359024","https://openalex.org/W2044437030","https://openalex.org/W2045757222","https://openalex.org/W2046063801","https://openalex.org/W2054718425","https://openalex.org/W2062402464","https://openalex.org/W2076375454","https://openalex.org/W2084412062","https://openalex.org/W2086645625","https://openalex.org/W2146591655","https://openalex.org/W2495028175","https://openalex.org/W4211057283","https://openalex.org/W4240081907","https://openalex.org/W4250114322"],"related_works":["https://openalex.org/W2326578237","https://openalex.org/W1982828121","https://openalex.org/W20173980","https://openalex.org/W2028677971","https://openalex.org/W2003064898","https://openalex.org/W2012097306","https://openalex.org/W2055862573","https://openalex.org/W1987247458","https://openalex.org/W2322362670","https://openalex.org/W1999645409"],"abstract_inverted_index":{"Quantum-mechanical":[0],"analysis":[1],"based":[2,49,97],"on":[3,50,98,128],"a":[4,11,21,39,43,90],"tight-binding":[5],"model":[6],"is":[7,26,58,114],"used":[8,59],"to":[9,60,85],"generate":[10],"functional":[12],"form":[13],"for":[14,68,108,116],"angular":[15,30],"forces":[16,31],"in":[17,75],"transition":[18],"metals.":[19],"Using":[20],"moment":[22],"analysis,":[23,52],"an":[24],"expression":[25],"derived":[27],"that":[28],"includes":[29],"via":[32],"both":[33,123],"explicit":[34],"many-body":[35],"interaction":[36],"terms":[37],"and":[38,64,71,80,112],"matrix":[40],"description":[41],"of":[42,93,119,124],"site's":[44],"local":[45],"environment.":[46],"A":[47],"fit":[48],"this":[51],"with":[53,78,104],"only":[54],"four":[55],"fitting":[56],"parameters,":[57,121],"treat":[61],"Cr,":[62],"Mo,":[63],"W.":[65],"Calibration":[66],"results":[67,107],"vacancy-formation":[69],"energies":[70],"structural-energy":[72],"differences":[73],"are":[74],"excellent":[76],"agreement":[77],"experiment":[79],"ab":[81,105],"initio":[82,106],"values.":[83],"Application":[84],"the":[86,94,109,120,129],"W(100)":[87],"surface":[88,100],"yields":[89],"physical":[91],"picture":[92],"c(2\\ifmmode\\times\\else\\texttimes\\fi{}2)":[95],"reconstruction":[96,110],"enhanced":[99],"bond-strengthening":[101],"effects.":[102],"Agreement":[103],"amplitude":[111],"energy":[113],"obtained":[115],"reasonable":[117],"values":[118],"although":[122],"these":[125],"quantities":[126],"depend":[127],"cutoff":[130],"radius.":[131]},"counts_by_year":[{"year":2023,"cited_by_count":19},{"year":2022,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2016-06-24T00:00:00"}
