{"id":"https://openalex.org/W3016448367","doi":"https://doi.org/10.1103/physrevb.102.014402","title":"Longitudinal spin fluctuations in bcc and liquid Fe at high temperature and pressure calculated with a supercell approach","display_name":"Longitudinal spin fluctuations in bcc and liquid Fe at high temperature and pressure calculated with a supercell approach","publication_year":2020,"publication_date":"2020-07-02","ids":{"openalex":"https://openalex.org/W3016448367","doi":"https://doi.org/10.1103/physrevb.102.014402","mag":"3016448367"},"language":"en","primary_location":{"id":"doi:10.1103/physrevb.102.014402","doi":"https://doi.org/10.1103/physrevb.102.014402","is_oa":true,"landing_page_url":"https://doi.org/10.1103/physrevb.102.014402","pdf_url":"http://link.aps.org/pdf/10.1103/PhysRevB.102.014402","source":{"id":"https://openalex.org/S4210237713","display_name":"Physical review. B./Physical review. B","issn_l":"2469-9950","issn":["2469-9950","2469-9969","2469-9977"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","norway-2","poland-140","russia-white-list-1","vabb-shw"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"http://link.aps.org/pdf/10.1103/PhysRevB.102.014402","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043703944","display_name":"Davide Gambino","orcid":"https://orcid.org/0000-0002-7763-7224","observed_orcids":["https://orcid.org/0000-0002-7763-7224"]},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":true,"raw_author_name":"Davide Gambino","raw_affiliation_strings":["Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden"],"raw_orcid":"https://orcid.org/0000-0002-7763-7224","affiliations":[{"raw_affiliation_string":"Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden","institution_ids":["https://openalex.org/I102134673"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001258609","display_name":"Marian Arale Br\u00e4nnvall","orcid":"https://orcid.org/0000-0002-0083-369X","observed_orcids":["https://orcid.org/0000-0002-0083-369X"]},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Marian Arale Br\u00e4nnvall","raw_affiliation_strings":["Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden","institution_ids":["https://openalex.org/I102134673"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055205687","display_name":"Amanda Ehn","orcid":"https://orcid.org/0000-0001-6695-7524","observed_orcids":["https://orcid.org/0000-0001-6695-7524"]},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Amanda Ehn","raw_affiliation_strings":["Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden","institution_ids":["https://openalex.org/I102134673"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043363555","display_name":"Ylva Hedstr\u00f6m","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Ylva Hedstr\u00f6m","raw_affiliation_strings":["Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden","institution_ids":["https://openalex.org/I102134673"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5072294019","display_name":"Bj\u00f6rn Alling","orcid":"https://orcid.org/0000-0001-5863-5605","observed_orcids":["https://orcid.org/0000-0001-5863-5605"]},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Bj\u00f6rn Alling","raw_affiliation_strings":["Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Chemistry, and Biology (IFM), Link\u00f6ping University, SE-581 83, Link\u00f6ping, Sweden","institution_ids":["https://openalex.org/I102134673"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5043703944"],"corresponding_institution_ids":["https://openalex.org/I102134673"],"apc_list":null,"apc_paid":null,"fwci":2.2019,"has_fulltext":true,"cited_by_count":22,"citation_normalized_percentile":{"value":0.86573564,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"102","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.2296999990940094,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.2296999990940094,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"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":0.22660000622272491,"subfield":{"id":"https://openalex.org/subfields/2506","display_name":"Metals and Alloys"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.22450000047683716,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"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/longitudinal-spin-fluctuations","display_name":"longitudinal spin fluctuations","score":0.9929999709129333},{"id":"https://openalex.org/keywords/alpha-iron","display_name":"alpha-iron","score":0.8769999742507935},{"id":"https://openalex.org/keywords/molten-iron","display_name":"molten iron","score":0.9959999918937683},{"id":"https://openalex.org/keywords/constrained-density-functional-theory","display_name":"constrained density functional theory","score":0.7429999709129333},{"id":"https://openalex.org/keywords/supercell-approach","display_name":"supercell approach","score":0.7799999713897705},{"id":"https://openalex.org/keywords/lattice-vibrations","display_name":"lattice vibrations","score":0.8980000019073486},{"id":"https://openalex.org/keywords/localized-magnetic-moments","display_name":"local magnetic moments","score":0.796999990940094},{"id":"https://openalex.org/keywords/paramagnetic-phase","display_name":"paramagnetic phase","score":0.652999997138977},{"id":"https://openalex.org/keywords/inner-core","display_name":"Earth's inner core","score":0.8539999723434448},{"id":"https://openalex.org/keywords/earth-s-outer-core","display_name":"Earth's outer core","score":0.9800000190734863},{"id":"https://openalex.org/keywords/high-pressure","display_name":"high pressure","score":0.6470000147819519},{"id":"https://openalex.org/keywords/high-temperature","display_name":"high temperature","score":0.6489999890327454},{"id":"https://openalex.org/keywords/atomic-forces","display_name":"atomic forces","score":0.5839999914169312},{"id":"https://openalex.org/keywords/electronic-density-of-states","display_name":"electronic density of states","score":0.9070000052452087}],"concepts":[{"id":"https://openalex.org/C124712363","wikidata":"https://www.wikidata.org/wiki/Q188479","display_name":"Paramagnetism","level":2,"score":0.6604703664779663},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.6479805111885071},{"id":"https://openalex.org/C54553102","wikidata":"https://www.wikidata.org/wiki/Q242657","display_name":"Magnetic moment","level":2,"score":0.5808385610580444},{"id":"https://openalex.org/C136498428","wikidata":"https://www.wikidata.org/wiki/Q747894","display_name":"Supercell","level":3,"score":0.5145344138145447},{"id":"https://openalex.org/C208081375","wikidata":"https://www.wikidata.org/wiki/Q274502","display_name":"Degrees of freedom (physics and chemistry)","level":2,"score":0.48571687936782837},{"id":"https://openalex.org/C535169671","wikidata":"https://www.wikidata.org/wiki/Q17080006","display_name":"Semiclassical physics","level":3,"score":0.44502827525138855},{"id":"https://openalex.org/C2777894999","wikidata":"https://www.wikidata.org/wiki/Q4781758","display_name":"Approx","level":2,"score":0.43947553634643555},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.4223443269729614},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4183652698993683},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.414632648229599},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.36054906249046326},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.21802499890327454},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.18878987431526184},{"id":"https://openalex.org/C153294291","wikidata":"https://www.wikidata.org/wiki/Q25261","display_name":"Meteorology","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"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/C80316258","wikidata":"https://www.wikidata.org/wiki/Q2857578","display_name":"Thunderstorm","level":2,"score":0.0},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1103/physrevb.102.014402","doi":"https://doi.org/10.1103/physrevb.102.014402","is_oa":true,"landing_page_url":"https://doi.org/10.1103/physrevb.102.014402","pdf_url":"http://link.aps.org/pdf/10.1103/PhysRevB.102.014402","source":{"id":"https://openalex.org/S4210237713","display_name":"Physical review. B./Physical review. B","issn_l":"2469-9950","issn":["2469-9950","2469-9969","2469-9977"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","norway-2","poland-140","russia-white-list-1","vabb-shw"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:2004.08276","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2004.08276","pdf_url":"https://arxiv.org/pdf/2004.08276","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"pmh:oai:DiVA.org:liu-174528","doi":null,"is_oa":true,"landing_page_url":"http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-174528","pdf_url":null,"source":{"id":"https://openalex.org/S4306400838","display_name":"DiVA (Linkoping University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I102134673","host_organization_name":"Link\u00f6ping University","host_organization_lineage":["https://openalex.org/I102134673"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"doi:10.48550/arxiv.2004.08276","doi":"https://doi.org/10.48550/arxiv.2004.08276","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2004.08276","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.1103/physrevb.102.014402","doi":"https://doi.org/10.1103/physrevb.102.014402","is_oa":true,"landing_page_url":"https://doi.org/10.1103/physrevb.102.014402","pdf_url":"http://link.aps.org/pdf/10.1103/PhysRevB.102.014402","source":{"id":"https://openalex.org/S4210237713","display_name":"Physical review. B./Physical review. B","issn_l":"2469-9950","issn":["2469-9950","2469-9969","2469-9977"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","norway-2","poland-140","russia-white-list-1","vabb-shw"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1525809646","display_name":null,"funder_award_id":"600398","funder_id":"https://openalex.org/F4320323807","funder_display_name":"Institut National Du Cancer"},{"id":"https://openalex.org/G1696766764","display_name":null,"funder_award_id":"2009 00971","funder_id":"https://openalex.org/F4320320940","funder_display_name":"Stiftelsen f\u00f6r\u00a0Strategisk Forskning"},{"id":"https://openalex.org/G1731271641","display_name":"New theory for magnetic materials at high temperature","funder_award_id":"2014-06336","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G193668846","display_name":null,"funder_award_id":"2009- 00971","funder_id":"https://openalex.org/F4320322225","funder_display_name":"Link\u00f6pings Universitet"},{"id":"https://openalex.org/G2144212310","display_name":null,"funder_award_id":"2018.0194","funder_id":"https://openalex.org/F4320322327","funder_display_name":"Knut och Alice Wallenbergs Stiftelse"},{"id":"https://openalex.org/G2156986825","display_name":null,"funder_award_id":"2009  00971","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G3312411","display_name":null,"funder_award_id":"SFO-Mat-LiU No 200900971","funder_id":"https://openalex.org/F4320322225","funder_display_name":"Link\u00f6pings Universitet"},{"id":"https://openalex.org/G3456956060","display_name":null,"funder_award_id":"INCA 600398","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G4466992459","display_name":null,"funder_award_id":"00971","funder_id":"https://openalex.org/F4320322225","funder_display_name":"Link\u00f6pings Universitet"},{"id":"https://openalex.org/G5434537738","display_name":null,"funder_award_id":"00971","funder_id":"https://openalex.org/F4320320940","funder_display_name":"Stiftelsen f\u00f6r\u00a0Strategisk Forskning"},{"id":"https://openalex.org/G6908014881","display_name":"Theory for Disoredered Magnetic Materials at High Temperature","funder_award_id":"2019-05403","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G7578213928","display_name":null,"funder_award_id":"2019-05403","funder_id":"https://openalex.org/F4320320940","funder_display_name":"Stiftelsen f\u00f6r\u00a0Strategisk Forskning"},{"id":"https://openalex.org/G834796695","display_name":null,"funder_award_id":"KAW-2018.0194","funder_id":"https://openalex.org/F4320322327","funder_display_name":"Knut och Alice Wallenbergs Stiftelse"},{"id":"https://openalex.org/G8389124349","display_name":"Strategiska utmaningar f\u00f6r ber\u00e4kningsbaserad legeringsteori","funder_award_id":"FFL15-0290","funder_id":"https://openalex.org/F4320320940","funder_display_name":"Stiftelsen f\u00f6r\u00a0Strategisk Forskning"}],"funders":[{"id":"https://openalex.org/F4320320940","display_name":"Stiftelsen f\u00f6r\u00a0Strategisk Forskning","ror":"https://ror.org/044wr7g58"},{"id":"https://openalex.org/F4320321040","display_name":"National Science Council","ror":"https://ror.org/02kv4zf79"},{"id":"https://openalex.org/F4320322225","display_name":"Link\u00f6pings Universitet","ror":"https://ror.org/05ynxx418"},{"id":"https://openalex.org/F4320322327","display_name":"Knut och Alice Wallenbergs Stiftelse","ror":"https://ror.org/004hzzk67"},{"id":"https://openalex.org/F4320322581","display_name":"Vetenskapsr\u00e5det","ror":"https://ror.org/03zttf063"},{"id":"https://openalex.org/F4320323807","display_name":"Institut National Du Cancer","ror":"https://ror.org/03m8vkq32"},{"id":"https://openalex.org/F4320336380","display_name":"National Supercomputer Centre, Link\u00f6pings Universitet","ror":"https://ror.org/054wejp28"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3016448367.pdf","grobid_xml":"https://content.openalex.org/works/W3016448367.grobid-xml"},"referenced_works_count":57,"referenced_works":["https://openalex.org/W1539346649","https://openalex.org/W1662267925","https://openalex.org/W1970127494","https://openalex.org/W1971478720","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1982117347","https://openalex.org/W1997325728","https://openalex.org/W2005554422","https://openalex.org/W2005842874","https://openalex.org/W2006474239","https://openalex.org/W2007395042","https://openalex.org/W2014394988","https://openalex.org/W2016958173","https://openalex.org/W2021693118","https://openalex.org/W2022925658","https://openalex.org/W2025131202","https://openalex.org/W2025162511","https://openalex.org/W2025277412","https://openalex.org/W2026190990","https://openalex.org/W2032012178","https://openalex.org/W2036113194","https://openalex.org/W2036669202","https://openalex.org/W2051437995","https://openalex.org/W2055218409","https://openalex.org/W2065920254","https://openalex.org/W2065976400","https://openalex.org/W2071503509","https://openalex.org/W2079105963","https://openalex.org/W2079584029","https://openalex.org/W2083222334","https://openalex.org/W2087698390","https://openalex.org/W2094512467","https://openalex.org/W2149482248","https://openalex.org/W2159887535","https://openalex.org/W2331500709","https://openalex.org/W2415040316","https://openalex.org/W2417741151","https://openalex.org/W2431602657","https://openalex.org/W2586282649","https://openalex.org/W2588670596","https://openalex.org/W2589363522","https://openalex.org/W2591289036","https://openalex.org/W2593113110","https://openalex.org/W2617617646","https://openalex.org/W2754087195","https://openalex.org/W2772695219","https://openalex.org/W2787676564","https://openalex.org/W2804286748","https://openalex.org/W2808995149","https://openalex.org/W2885343694","https://openalex.org/W2977867971","https://openalex.org/W2987205455","https://openalex.org/W3017722065","https://openalex.org/W3020887171","https://openalex.org/W3140455208","https://openalex.org/W4253319313"],"related_works":["https://openalex.org/W4224030283","https://openalex.org/W2415040316","https://openalex.org/W2056085805","https://openalex.org/W1972129095","https://openalex.org/W2143059146","https://openalex.org/W3012738834","https://openalex.org/W2016465121","https://openalex.org/W1987251300","https://openalex.org/W2079584029","https://openalex.org/W1649487017"],"abstract_inverted_index":{"Investigating":[0],"magnetic":[1,20,37,74,116,216],"materials":[2],"at":[3,144,160,194,198,202],"realistic":[4],"conditions":[5,205],"with":[6],"first-principles":[7],"methods":[8],"is":[9,32,85],"a":[10,62,98,154],"challenging":[11],"task":[12],"due":[13,45],"to":[14,28,46,55,109,221],"the":[15,35,71,79,88,102,112,119,124,139,145,177,183,188,195,222],"interplay":[16],"of":[17,22,39,73,78,81,104,114,126,141,180,182,218],"vibrational":[18],"and":[19,68,129,148,164,176,201],"degrees":[21,38],"freedom.":[23],"The":[24],"most":[25],"difficult":[26],"contribution":[27],"include":[29],"in":[30,70,87,93,118,123,133],"simulations":[31],"represented":[33],"by":[34],"longitudinal":[36],"freedom":[40],"[longitudinal":[41],"spin":[42],"fluctuation":[43],"(LSF)]":[44],"their":[47],"inherent":[48],"many-body":[49],"nature;":[50],"nonetheless,":[51],"schemes":[52],"that":[53,167],"enable":[54],"take":[56],"into":[57],"account":[58],"this":[59,91,94],"effect":[60,80],"on":[61,83,157,191],"semiclassical":[63],"level":[64],"have":[65],"been":[66],"proposed":[67],"employed":[69],"investigation":[72],"systems.":[75],"However,":[76],"assessment":[77],"vibrations":[82,128],"LSF":[84],"lacking":[86],"literature.":[89],"For":[90],"reason,":[92],"work":[95],"we":[96,137,152,165,186,213],"develop":[97],"supercell":[99],"approach":[100],"within":[101],"framework":[103],"constrained":[105],"density":[106,179],"functional":[107],"theory":[108],"calculate":[110],"self-consistently":[111],"size":[113],"local-environment-dependent":[115],"moments":[117,171,217],"paramagnetic,":[120],"high-temperature":[121],"state":[122],"presence":[125],"lattice":[127],"for":[130],"liquid":[131,192],"Fe":[132,143,159,193],"different":[134],"conditions.":[135],"First,":[136],"consider":[138],"case":[140],"bcc":[142,158],"Curie":[146],"temperature":[147],"ambient":[149,199],"pressure.":[150],"Then,":[151],"perform":[153],"similar":[155],"analysis":[156],"Earth's":[161,203],"inner-core":[162],"conditions,":[163],"find":[166],"LSFs":[168],"stabilize":[169],"nonzero":[170],"which":[172],"affect":[173],"atomic":[174],"forces":[175],"electronic":[178],"states":[181],"system.":[184],"Finally,":[185],"employ":[187],"present":[189],"scheme":[190],"melting":[196],"point":[197],"pressure":[200],"outer-core":[204],"($p\\ensuremath{\\approx}200$":[206],"GPa,":[207],"$T\\ensuremath{\\approx}6000$":[208],"K).":[209],"In":[210],"both":[211],"cases,":[212],"obtain":[214],"local":[215],"sizes":[219],"comparable":[220],"solid-state":[223],"counterparts.":[224]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":4}],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2020-04-24T00:00:00"}
