{"id":"https://openalex.org/W2005604666","doi":"https://doi.org/10.1007/bf00552849","title":"The band structures and magnetic properties of some transition-metal monophosphides I. Scandium phosphide","display_name":"The band structures and magnetic properties of some transition-metal monophosphides I. Scandium phosphide","publication_year":1981,"publication_date":"1981-01-01","ids":{"openalex":"https://openalex.org/W2005604666","doi":"https://doi.org/10.1007/bf00552849","mag":"2005604666"},"language":"en","primary_location":{"id":"doi:10.1007/bf00552849","doi":"https://doi.org/10.1007/bf00552849","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00552849","pdf_url":null,"source":{"id":"https://openalex.org/S81945236","display_name":"Theoretical Chemistry Accounts","issn_l":"1432-2234","issn":["1432-2234","1432-881X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-3","vabb-shw"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Theoretica Chimica Acta","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/A5008837096","display_name":"Peter G. Perkins","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I181647926","display_name":"University of Strathclyde","ror":"https://ror.org/00n3w3b69","country_code":"GB","type":"education","lineage":["https://openalex.org/I181647926"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Peter G. Perkins","raw_affiliation_strings":["Department of Pure and Applied Chemistry, University of Strathclyde, G1 1XL, Glasgow, Scotland","Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow Scotland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pure and Applied Chemistry, University of Strathclyde, G1 1XL, Glasgow, Scotland","institution_ids":["https://openalex.org/I181647926"]},{"raw_affiliation_string":"Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow Scotland","institution_ids":["https://openalex.org/I181647926"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038878585","display_name":"Ashok K. Marwaha","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I181647926","display_name":"University of Strathclyde","ror":"https://ror.org/00n3w3b69","country_code":"GB","type":"education","lineage":["https://openalex.org/I181647926"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Ashok K. Marwaha","raw_affiliation_strings":["Department of Pure and Applied Chemistry, University of Strathclyde, G1 1XL, Glasgow, Scotland","Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow Scotland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pure and Applied Chemistry, University of Strathclyde, G1 1XL, Glasgow, Scotland","institution_ids":["https://openalex.org/I181647926"]},{"raw_affiliation_string":"Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow Scotland","institution_ids":["https://openalex.org/I181647926"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060242817","display_name":"James J. P. Stewart","orcid":"https://orcid.org/0000-0001-6280-8695","observed_orcids":["https://orcid.org/0000-0001-6280-8695"]},"institutions":[{"id":"https://openalex.org/I181647926","display_name":"University of Strathclyde","ror":"https://ror.org/00n3w3b69","country_code":"GB","type":"education","lineage":["https://openalex.org/I181647926"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"James J. P. Stewart","raw_affiliation_strings":["Department of Pure and Applied Chemistry, University of Strathclyde, G1 1XL, Glasgow, Scotland","Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow Scotland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pure and Applied Chemistry, University of Strathclyde, G1 1XL, Glasgow, Scotland","institution_ids":["https://openalex.org/I181647926"]},{"raw_affiliation_string":"Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow Scotland","institution_ids":["https://openalex.org/I181647926"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I181647926"],"apc_list":{"value":3590,"currency":"USD","value_usd":3590},"apc_paid":null,"fwci":1.1501,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.72967046,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"59","issue":"6","first_page":"555","last_page":"568"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.6015999913215637,"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":0.6015999913215637,"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/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.12409999966621399,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.054999999701976776,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/band-structure","display_name":"electronic band structure","score":0.8799999952316284},{"id":"https://openalex.org/keywords/magnetic-properties","display_name":"magnetic properties","score":0.8999999761581421},{"id":"https://openalex.org/keywords/density-of-states","display_name":"density of states","score":0.9150000214576721},{"id":"https://openalex.org/keywords/semiconductor-band-gap","display_name":"semiconductor band gap","score":0.6269999742507935},{"id":"https://openalex.org/keywords/three-dimensional-solids","display_name":"three-dimensional solids","score":0.6859999895095825}],"concepts":[{"id":"https://openalex.org/C2780654602","wikidata":"https://www.wikidata.org/wiki/Q411835","display_name":"Phosphide","level":3,"score":0.8539731502532959},{"id":"https://openalex.org/C551831248","wikidata":"https://www.wikidata.org/wiki/Q713","display_name":"Scandium","level":2,"score":0.8377343416213989},{"id":"https://openalex.org/C53848692","wikidata":"https://www.wikidata.org/wiki/Q900666","display_name":"Linear combination of atomic orbitals","level":4,"score":0.6568464040756226},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.628536581993103},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6162499785423279},{"id":"https://openalex.org/C108225325","wikidata":"https://www.wikidata.org/wiki/Q11456","display_name":"Semiconductor","level":2,"score":0.6138753294944763},{"id":"https://openalex.org/C2776152967","wikidata":"https://www.wikidata.org/wiki/Q416291","display_name":"Indium phosphide","level":3,"score":0.5924814939498901},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.5502451062202454},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.5486640334129333},{"id":"https://openalex.org/C125469278","wikidata":"https://www.wikidata.org/wiki/Q806380","display_name":"Electronic band structure","level":2,"score":0.4489169716835022},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.4394257366657257},{"id":"https://openalex.org/C125938697","wikidata":"https://www.wikidata.org/wiki/Q2668132","display_name":"Magnetic semiconductor","level":3,"score":0.417266845703125},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.3908209204673767},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.2868603467941284},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.22251379489898682},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.19371870160102844},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.18406420946121216},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.13284730911254883},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.11853659152984619},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.08139756321907043},{"id":"https://openalex.org/C510052550","wikidata":"https://www.wikidata.org/wiki/Q422819","display_name":"Gallium arsenide","level":2,"score":0.06419071555137634},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"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/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","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}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/bf00552849","doi":"https://doi.org/10.1007/bf00552849","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00552849","pdf_url":null,"source":{"id":"https://openalex.org/S81945236","display_name":"Theoretical Chemistry Accounts","issn_l":"1432-2234","issn":["1432-2234","1432-881X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-3","vabb-shw"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Theoretica Chimica Acta","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":15,"referenced_works":["https://openalex.org/W21131456","https://openalex.org/W1974207181","https://openalex.org/W1989028652","https://openalex.org/W2019247309","https://openalex.org/W2028356071","https://openalex.org/W2034991877","https://openalex.org/W2037707464","https://openalex.org/W2038293633","https://openalex.org/W2054366852","https://openalex.org/W2059394104","https://openalex.org/W2074126563","https://openalex.org/W2110588997","https://openalex.org/W2158875098","https://openalex.org/W2159570720","https://openalex.org/W2255349280"],"related_works":["https://openalex.org/W3009244977","https://openalex.org/W2050998447","https://openalex.org/W1983748767","https://openalex.org/W3200762034","https://openalex.org/W2021731548","https://openalex.org/W2981840496","https://openalex.org/W2021433743","https://openalex.org/W4394014923","https://openalex.org/W2071252887","https://openalex.org/W2890083174"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2016-06-24T00:00:00"}
