{"id":"https://openalex.org/W7214744580","doi":"https://doi.org/10.48550/arxiv.2609.35081","title":"First Principles Magnetic Initialisation Made Simple","display_name":"First Principles Magnetic Initialisation Made Simple","publication_year":2026,"publication_date":"2026-09-28","ids":{"openalex":"https://openalex.org/W7214744580","doi":"https://doi.org/10.48550/arxiv.2609.35081"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2609.35081","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.35081","pdf_url":"https://arxiv.org/pdf/2609.35081","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"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2609.35081","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5153437218","display_name":"Kit D. Brown","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I52099693","display_name":"University of York","ror":"https://ror.org/04m01e293","country_code":"GB","type":"education","lineage":["https://openalex.org/I52099693"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Brown, Kit D.","raw_affiliation_strings":["School of Physics, Engineering, and Technology , University of York , York , YO10 5DD , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Engineering, and Technology , University of York , York , YO10 5DD , UK","institution_ids":["https://openalex.org/I52099693"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071356572","display_name":"Robert A. Lawrence","orcid":"https://orcid.org/0000-0003-0025-2497","observed_orcids":["https://orcid.org/0000-0003-0025-2497"]},"institutions":[{"id":"https://openalex.org/I4387153886","display_name":"University of Tampere","ror":"https://ror.org/05p6qqk79","country_code":"FI","type":"education","lineage":["https://openalex.org/I166825849","https://openalex.org/I4387153886"]}],"countries":["FI"],"is_corresponding":false,"raw_author_name":"Lawrence, Robert A.","raw_affiliation_strings":["Department of Physics , University of Tampere , S\u00e4hk\u00f6talo , Korkeakoulunkatu 3 , 33720 Tampere , Finland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics , University of Tampere , S\u00e4hk\u00f6talo , Korkeakoulunkatu 3 , 33720 Tampere , Finland","institution_ids":["https://openalex.org/I4387153886"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.4004000127315521,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.4004000127315521,"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/T11682","display_name":"Advanced Condensed Matter Physics","score":0.17880000174045563,"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"}},{"id":"https://openalex.org/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.12189999967813492,"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/first-principles-electronic-structure","display_name":"first-principles electronic structure","score":0.7689999938011169},{"id":"https://openalex.org/keywords/symmetry-analysis","display_name":"symmetry analysis","score":0.9319999814033508},{"id":"https://openalex.org/keywords/ferromagnetism","display_name":"ferromagnetism","score":0.8180000185966492},{"id":"https://openalex.org/keywords/antiferromagnetism","display_name":"antiferromagnetism","score":0.968999981880188},{"id":"https://openalex.org/keywords/magnetic-frustration","display_name":"frustrated magnetism","score":0.777999997138977},{"id":"https://openalex.org/keywords/alpha-iron","display_name":"alpha-iron","score":0.7310000061988831},{"id":"https://openalex.org/keywords/magnetic-materials","display_name":"magnetic materials","score":0.3319999873638153}],"concepts":[{"id":"https://openalex.org/C155355069","wikidata":"https://www.wikidata.org/wiki/Q575224","display_name":"Antiferromagnetism","level":2,"score":0.7318000197410583},{"id":"https://openalex.org/C82217956","wikidata":"https://www.wikidata.org/wiki/Q184207","display_name":"Ferromagnetism","level":2,"score":0.6866000294685364},{"id":"https://openalex.org/C2780586882","wikidata":"https://www.wikidata.org/wiki/Q7520643","display_name":"Simple (philosophy)","level":2,"score":0.6121000051498413},{"id":"https://openalex.org/C2779886137","wikidata":"https://www.wikidata.org/wiki/Q21030012","display_name":"Symmetry (geometry)","level":2,"score":0.5830000042915344},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.48350000381469727},{"id":"https://openalex.org/C175601593","wikidata":"https://www.wikidata.org/wiki/Q6731614","display_name":"Magnetic structure","level":4,"score":0.47119998931884766},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4652000069618225},{"id":"https://openalex.org/C182260160","wikidata":"https://www.wikidata.org/wiki/Q1069637","display_name":"Magnetic domain","level":4,"score":0.45820000767707825},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4194999933242798},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.3919999897480011},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.3727000057697296},{"id":"https://openalex.org/C2777212361","wikidata":"https://www.wikidata.org/wiki/Q5127848","display_name":"Class (philosophy)","level":2,"score":0.3393000066280365},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.33090001344680786},{"id":"https://openalex.org/C119835096","wikidata":"https://www.wikidata.org/wiki/Q6839648","display_name":"Micromagnetics","level":4,"score":0.3165000081062317},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.3095000088214874},{"id":"https://openalex.org/C115260700","wikidata":"https://www.wikidata.org/wiki/Q11408","display_name":"Magnetic field","level":2,"score":0.3000999987125397},{"id":"https://openalex.org/C125469278","wikidata":"https://www.wikidata.org/wiki/Q806380","display_name":"Electronic band structure","level":2,"score":0.2964000105857849},{"id":"https://openalex.org/C33332235","wikidata":"https://www.wikidata.org/wiki/Q18362","display_name":"Theoretical physics","level":1,"score":0.2856000065803528},{"id":"https://openalex.org/C16889073","wikidata":"https://www.wikidata.org/wiki/Q691463","display_name":"Magnetic susceptibility","level":2,"score":0.2535000145435333}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2609.35081","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.35081","pdf_url":"https://arxiv.org/pdf/2609.35081","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":"doi:10.48550/arxiv.2609.35081","doi":"https://doi.org/10.48550/arxiv.2609.35081","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2609.35081","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2609.35081","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.35081","pdf_url":"https://arxiv.org/pdf/2609.35081","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"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322725","display_name":"China Scholarship Council","ror":"https://ror.org/04atp4p48"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7214744580.pdf","grobid_xml":"https://content.openalex.org/works/W7214744580.grobid-xml"},"referenced_works_count":4,"referenced_works":["https://openalex.org/W2020362873","https://openalex.org/W2298916669","https://openalex.org/W4401339223","https://openalex.org/W7139101249"],"related_works":["https://openalex.org/W7096477094","https://openalex.org/W6891856009","https://openalex.org/W3195762422","https://openalex.org/W7118578430","https://openalex.org/W819013966","https://openalex.org/W1680807408","https://openalex.org/W2326115644","https://openalex.org/W7117596714","https://openalex.org/W2044497840","https://openalex.org/W4391124949"],"abstract_inverted_index":{"A":[0],"fundamental":[1],"issue":[2],"with":[3],"first":[4,38],"principles":[5],"electronic":[6],"structure":[7,48],"calculation":[8],"is":[9],"the":[10,60],"requirement":[11],"for":[12,65],"magnetic":[13,35,62,70],"initialisations,":[14],"which":[15],"are":[16],"usually":[17],"derived":[18],"from":[19,37],"experimental":[20],"results.":[21],"In":[22],"this":[23,53],"paper,":[24],"we":[25],"present":[26],"a":[27,45,66],"new":[28],"and":[29,44,79],"computationally":[30],"inexpensive":[31],"method":[32,54],"to":[33,89],"predict":[34],"structures":[36],"principles,":[39],"based":[40],"upon":[41],"symmetry":[42],"analysis":[43],"non-magnetic":[46,87],"band":[47],"only.":[49],"We":[50],"demonstrate":[51],"that":[52],"of":[55,69],"creating":[56],"initialisations":[57],"successfully":[58],"reproduces":[59],"known":[61],"ground":[63],"state":[64],"wide":[67],"class":[68],"materials,":[71],"including":[72],"ferromagnetic":[73],"BCC":[74],"Fe,":[75],"antiferromagnetic":[76,81],"L1$_0$":[77],"PtMn,":[78],"frustrated":[80],"L1$_2$":[82],"IrMn$_3$,":[83],"while":[84],"also":[85],"predicting":[86],"materials":[88],"remain":[90],"non-magnetic.":[91]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-09-30T00:00:00"}
