{"id":"https://openalex.org/W4400440922","doi":"https://doi.org/10.35848/1347-4065/ad60d0","title":"Accelerating ferroelectric materials discovery through high-throughput first-principles screening and experimental validation","display_name":"Accelerating ferroelectric materials discovery through high-throughput first-principles screening and experimental validation","publication_year":2024,"publication_date":"2024-07-01","ids":{"openalex":"https://openalex.org/W4400440922","doi":"https://doi.org/10.35848/1347-4065/ad60d0"},"language":"en","primary_location":{"id":"doi:10.35848/1347-4065/ad60d0","doi":"https://doi.org/10.35848/1347-4065/ad60d0","is_oa":false,"landing_page_url":"https://doi.org/10.35848/1347-4065/ad60d0","pdf_url":null,"source":{"id":"https://openalex.org/S143744711","display_name":"Japanese Journal of Applied Physics","issn_l":"0021-4922","issn":["0021-4922","1347-4065"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310311669","host_organization_name":"Institute of Physics","host_organization_lineage":["https://openalex.org/P4310311669"],"host_organization_lineage_names":["Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Japanese Journal of Applied Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5054451349","display_name":"Daisuke Hirai","orcid":"https://orcid.org/0000-0002-0633-5800","observed_orcids":["https://orcid.org/0000-0002-0633-5800"]},"institutions":[{"id":"https://openalex.org/I924388194","display_name":"Murata (Japan)","ror":"https://ror.org/04hd8bd67","country_code":"JP","type":"company","lineage":["https://openalex.org/I924388194"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Daisuke Hirai","raw_affiliation_strings":["Murata Manufacturing Co., Ltd., Nagaokakyo, Kyoto 617-8555, Japan"],"raw_orcid":"https://orcid.org/0000-0002-0633-5800","affiliations":[{"raw_affiliation_string":"Murata Manufacturing Co., Ltd., Nagaokakyo, Kyoto 617-8555, Japan","institution_ids":["https://openalex.org/I924388194"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025406496","display_name":"Tomoki Murata","orcid":"https://orcid.org/0000-0001-8698-9953","observed_orcids":["https://orcid.org/0000-0001-8698-9953"]},"institutions":[{"id":"https://openalex.org/I924388194","display_name":"Murata (Japan)","ror":"https://ror.org/04hd8bd67","country_code":"JP","type":"company","lineage":["https://openalex.org/I924388194"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Tomoki Murata","raw_affiliation_strings":["Murata Manufacturing Co., Ltd., Nagaokakyo, Kyoto 617-8555, Japan"],"raw_orcid":"https://orcid.org/0000-0001-8698-9953","affiliations":[{"raw_affiliation_string":"Murata Manufacturing Co., Ltd., Nagaokakyo, Kyoto 617-8555, Japan","institution_ids":["https://openalex.org/I924388194"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045036033","display_name":"Sakyo Hirose","orcid":"https://orcid.org/0000-0003-4090-7806","observed_orcids":["https://orcid.org/0000-0003-4090-7806"]},"institutions":[{"id":"https://openalex.org/I924388194","display_name":"Murata (Japan)","ror":"https://ror.org/04hd8bd67","country_code":"JP","type":"company","lineage":["https://openalex.org/I924388194"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Sakyo Hirose","raw_affiliation_strings":["Murata Manufacturing Co., Ltd., Nagaokakyo, Kyoto 617-8555, Japan"],"raw_orcid":"https://orcid.org/0000-0003-4090-7806","affiliations":[{"raw_affiliation_string":"Murata Manufacturing Co., Ltd., Nagaokakyo, Kyoto 617-8555, Japan","institution_ids":["https://openalex.org/I924388194"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I924388194"],"apc_list":{"value":2210,"currency":"USD","value_usd":2210},"apc_paid":null,"fwci":0.2681,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.3576994,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":97},"biblio":{"volume":"63","issue":"7","first_page":"07SP10","last_page":"07SP10"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10107","display_name":"Ferroelectric and Piezoelectric Materials","score":0.9545999765396118,"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"}},"topics":[{"id":"https://openalex.org/T10107","display_name":"Ferroelectric and Piezoelectric Materials","score":0.9545999765396118,"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"}},{"id":"https://openalex.org/T10886","display_name":"Multiferroics and related materials","score":0.02280000038444996,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.010099999606609344,"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/ferroelectrics","display_name":"ferroelectric materials","score":0.8529999852180481},{"id":"https://openalex.org/keywords/high-throughput-screening","display_name":"high-throughput screening","score":0.8399999737739563},{"id":"https://openalex.org/keywords/first-principles-calculations","display_name":"first-principles calculations","score":0.9679999947547913},{"id":"https://openalex.org/keywords/ferroelectric-phase-transition","display_name":"ferroelectric phase transition","score":0.9309999942779541},{"id":"https://openalex.org/keywords/oxide-materials","display_name":"oxide materials","score":0.6000000238418579},{"id":"https://openalex.org/keywords/crystal-structure-database","display_name":"crystal structure database","score":0.8560000061988831},{"id":"https://openalex.org/keywords/dielectric-properties","display_name":"dielectric properties","score":0.9049999713897705},{"id":"https://openalex.org/keywords/materials-discovery","display_name":"materials discovery","score":0.37700000405311584}],"concepts":[{"id":"https://openalex.org/C157764524","wikidata":"https://www.wikidata.org/wiki/Q1383412","display_name":"Throughput","level":3,"score":0.7114583253860474},{"id":"https://openalex.org/C79090758","wikidata":"https://www.wikidata.org/wiki/Q1045739","display_name":"Ferroelectricity","level":3,"score":0.67289137840271},{"id":"https://openalex.org/C51323132","wikidata":"https://www.wikidata.org/wiki/Q626251","display_name":"High-throughput screening","level":2,"score":0.5310196280479431},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4930727183818817},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.43886950612068176},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3568180203437805},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.25910162925720215},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2010200023651123},{"id":"https://openalex.org/C76155785","wikidata":"https://www.wikidata.org/wiki/Q418","display_name":"Telecommunications","level":1,"score":0.07406872510910034},{"id":"https://openalex.org/C133386390","wikidata":"https://www.wikidata.org/wiki/Q184996","display_name":"Dielectric","level":2,"score":0.06963732838630676},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C555944384","wikidata":"https://www.wikidata.org/wiki/Q249","display_name":"Wireless","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.35848/1347-4065/ad60d0","doi":"https://doi.org/10.35848/1347-4065/ad60d0","is_oa":false,"landing_page_url":"https://doi.org/10.35848/1347-4065/ad60d0","pdf_url":null,"source":{"id":"https://openalex.org/S143744711","display_name":"Japanese Journal of Applied Physics","issn_l":"0021-4922","issn":["0021-4922","1347-4065"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310311669","host_organization_name":"Institute of Physics","host_organization_lineage":["https://openalex.org/P4310311669"],"host_organization_lineage_names":["Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Japanese Journal of Applied Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":34,"referenced_works":["https://openalex.org/W151084660","https://openalex.org/W1518098775","https://openalex.org/W1535388931","https://openalex.org/W1678458289","https://openalex.org/W1733106214","https://openalex.org/W1992985800","https://openalex.org/W2007395042","https://openalex.org/W2028056984","https://openalex.org/W2079105963","https://openalex.org/W2083222334","https://openalex.org/W2128972183","https://openalex.org/W2213041371","https://openalex.org/W2316297077","https://openalex.org/W2329428509","https://openalex.org/W2465028229","https://openalex.org/W2466899395","https://openalex.org/W2533708133","https://openalex.org/W2534542233","https://openalex.org/W2761937903","https://openalex.org/W2806833181","https://openalex.org/W2893710202","https://openalex.org/W2947333951","https://openalex.org/W2949705538","https://openalex.org/W2953258777","https://openalex.org/W2965500273","https://openalex.org/W2975270375","https://openalex.org/W2998984595","https://openalex.org/W3087972710","https://openalex.org/W3091796514","https://openalex.org/W3095705550","https://openalex.org/W3097507970","https://openalex.org/W4213129475","https://openalex.org/W4391042226","https://openalex.org/W4393386667"],"related_works":["https://openalex.org/W4391042226","https://openalex.org/W3010383729","https://openalex.org/W2534542233","https://openalex.org/W2008669946","https://openalex.org/W2796186411","https://openalex.org/W4413271696","https://openalex.org/W4378214624","https://openalex.org/W7124462702","https://openalex.org/W7141973656","https://openalex.org/W4361294960"],"abstract_inverted_index":{"Abstract":[0],"We":[1,17],"conducted":[2],"high-throughput":[3],"screening":[4,45,88,146],"of":[5,55,61,77,144],"ferroelectrics":[6],"using":[7],"first-principles":[8],"calculations":[9],"based":[10],"on":[11,19],"an":[12],"existing":[13],"crystal":[14,41],"structure":[15,42],"database.":[16],"focused":[18],"nonpolar":[20],"structures":[21],"with":[22,97],"polar":[23],"instability,":[24],"to":[25,32],"efficiently":[26],"screen":[27],"materials":[28,39,96],"for":[29],"their":[30,102,121],"potential":[31],"undergo":[33],"ferroelectric":[34,74,105,109,128,134],"phase":[35,135],"transitions":[36],"from":[37],"oxide":[38],"in":[40,64,115],"databases.":[43],"Our":[44],"criteria":[46],"included":[47],"computational":[48],"feasibility":[49],"(excluding":[50],"partial":[51],"occupation),":[52],"the":[53,65,108,142],"absence":[54],"hazardous":[56],"elements,":[57],"and":[58,92,100,104],"a":[59,126,133],"maximum":[60],"250":[62],"atoms":[63],"conventional":[66],"cell.":[67],"Through":[68],"this":[69],"screening,":[70],"we":[71,90,124],"identified":[72,114],"47":[73],"candidates,":[75],"8":[76],"which":[78,131],"have":[79],"already":[80],"been":[81],"reported":[82],"as":[83],"ferroelectrics.":[84],"To":[85],"validate":[86],"our":[87,118,145],"approach,":[89],"synthesized":[91],"evaluated":[93],"several":[94],"candidate":[95],"Dion\u2013Jacobson-type":[98],"structures,":[99],"measured":[101],"dielectric":[103],"properties.":[106,122],"Although":[107],"behavior":[110],"was":[111],"not":[112],"initially":[113],"these":[116],"materials,":[117],"experiments":[119],"confirmed":[120],"Finally,":[123],"discovered":[125],"new":[127],"material,":[129],"CsCa2Nb3O10,":[130],"exhibited":[132],"transition":[136],"at":[137],"28":[138],"K,":[139],"clearly":[140],"demonstrating":[141],"effectiveness":[143],"strategy.":[147]},"counts_by_year":[{"year":2025,"cited_by_count":3}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2024-07-10T00:00:00"}
