{"id":"https://openalex.org/W4408940690","doi":"https://doi.org/10.5488/cmp.28.13701","title":"Theoretical study of thermoelectric properties of CeIr4P12 filled skutterudite for energy conversion","display_name":"Theoretical study of thermoelectric properties of CeIr4P12 filled skutterudite for energy conversion","publication_year":2025,"publication_date":"2025-03-28","ids":{"openalex":"https://openalex.org/W4408940690","doi":"https://doi.org/10.5488/cmp.28.13701"},"language":"en","primary_location":{"id":"doi:10.5488/cmp.28.13701","doi":"https://doi.org/10.5488/cmp.28.13701","is_oa":true,"landing_page_url":"https://doi.org/10.5488/cmp.28.13701","pdf_url":null,"source":{"id":"https://openalex.org/S487226","display_name":"Condensed Matter Physics","issn_l":"1607-324X","issn":["1607-324X","2224-9079"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","norway-1","poland-40","russia-white-list-3"],"host_organization":"https://openalex.org/P4310322216","host_organization_name":"Institute for Condensed Matter Physics of NAS of Ukraine","host_organization_lineage":["https://openalex.org/P4310322216","https://openalex.org/P4310321802"],"host_organization_lineage_names":["Institute for Condensed Matter Physics of NAS of Ukraine","National Academy of Sciences of Ukraine"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Condensed Matter Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite","doaj"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://doi.org/10.5488/cmp.28.13701","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5116836486","display_name":"M. Bouchenaki","orcid":"https://orcid.org/0009-0009-9038-2092","observed_orcids":["https://orcid.org/0009-0009-9038-2092"]},"institutions":[{"id":"https://openalex.org/I233209018","display_name":"University of Abou Bekr Belka\u00efd","ror":"https://ror.org/00jsjm362","country_code":"DZ","type":"education","lineage":["https://openalex.org/I233209018"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"M. Bouchenaki","raw_affiliation_strings":["Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria"],"raw_orcid":"https://orcid.org/0009-0009-9038-2092","affiliations":[{"raw_affiliation_string":"Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria","institution_ids":["https://openalex.org/I233209018"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085608915","display_name":"Lotfi Ibrahim Karaouz\u00e8ne","orcid":"https://orcid.org/0000-0002-2971-2939","observed_orcids":["https://orcid.org/0000-0002-2971-2939"]},"institutions":[{"id":"https://openalex.org/I233209018","display_name":"University of Abou Bekr Belka\u00efd","ror":"https://ror.org/00jsjm362","country_code":"DZ","type":"education","lineage":["https://openalex.org/I233209018"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"L. I. Karaouz\u00e8ne","raw_affiliation_strings":["Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria"],"raw_orcid":"https://orcid.org/0000-0002-2971-2939","affiliations":[{"raw_affiliation_string":"Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria","institution_ids":["https://openalex.org/I233209018"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061203483","display_name":"Nabila Brahmi-Chendouh","orcid":"https://orcid.org/0000-0003-4576-0241","observed_orcids":["https://orcid.org/0000-0003-4576-0241"]},"institutions":[{"id":"https://openalex.org/I233209018","display_name":"University of Abou Bekr Belka\u00efd","ror":"https://ror.org/00jsjm362","country_code":"DZ","type":"education","lineage":["https://openalex.org/I233209018"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"B. N. Brahmi","raw_affiliation_strings":["Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria"],"raw_orcid":"https://orcid.org/0000-0003-4576-0241","affiliations":[{"raw_affiliation_string":"Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria","institution_ids":["https://openalex.org/I233209018"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5116836487","display_name":"M. Kaid Slimane","orcid":"https://orcid.org/0009-0000-1011-0025","observed_orcids":["https://orcid.org/0009-0000-1011-0025"]},"institutions":[{"id":"https://openalex.org/I233209018","display_name":"University of Abou Bekr Belka\u00efd","ror":"https://ror.org/00jsjm362","country_code":"DZ","type":"education","lineage":["https://openalex.org/I233209018"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"M. Kaid Slimane","raw_affiliation_strings":["Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria"],"raw_orcid":"https://orcid.org/0009-0000-1011-0025","affiliations":[{"raw_affiliation_string":"Theoretical Physics Laboratory, Faculty of Science, University Abou Bekr Belkaid, Tlemcen, Algeria","institution_ids":["https://openalex.org/I233209018"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I233209018"],"apc_list":null,"apc_paid":null,"fwci":0.1873,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.28341526,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":93},"biblio":{"volume":"28","issue":"1","first_page":"13701","last_page":"13701"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.9976000189781189,"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/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.9976000189781189,"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/T10681","display_name":"Rare-earth and actinide compounds","score":0.0012000000569969416,"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/T11277","display_name":"Thermal properties of materials","score":9.999999747378752e-05,"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/skutterudites","display_name":"skutterudites","score":0.9200000166893005},{"id":"https://openalex.org/keywords/thermoelectric-properties","display_name":"thermoelectric properties","score":0.9700000286102295},{"id":"https://openalex.org/keywords/thermoelectric-figure-of-merit","display_name":"figure of merit ZT","score":0.7839999794960022},{"id":"https://openalex.org/keywords/elastic-constants","display_name":"elastic constants","score":0.8059999942779541},{"id":"https://openalex.org/keywords/phonon-stability","display_name":"phonon stability","score":0.8510000109672546},{"id":"https://openalex.org/keywords/thermal-expansion","display_name":"thermal expansion","score":0.6959999799728394},{"id":"https://openalex.org/keywords/lattice-thermal-conductivity","display_name":"lattice thermal conductivity","score":0.9959999918937683},{"id":"https://openalex.org/keywords/electronic-thermal-conductivity","display_name":"electronic thermal conductivity","score":0.9879999756813049},{"id":"https://openalex.org/keywords/mechanical-stability","display_name":"mechanical stability","score":0.6029999852180481},{"id":"https://openalex.org/keywords/cohesive-energy","display_name":"cohesive energy","score":0.6119999885559082},{"id":"https://openalex.org/keywords/energy-conversion","display_name":"energy conversion","score":0.49000000953674316}],"concepts":[{"id":"https://openalex.org/C2776731941","wikidata":"https://www.wikidata.org/wiki/Q417274","display_name":"Skutterudite","level":4,"score":0.9362318515777588},{"id":"https://openalex.org/C63024428","wikidata":"https://www.wikidata.org/wiki/Q552456","display_name":"Thermoelectric effect","level":2,"score":0.5477950572967529},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5319467186927795},{"id":"https://openalex.org/C207365445","wikidata":"https://www.wikidata.org/wiki/Q15020929","display_name":"Thermoelectric materials","level":3,"score":0.2762639820575714},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.26034408807754517},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.15235450863838196}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.5488/cmp.28.13701","doi":"https://doi.org/10.5488/cmp.28.13701","is_oa":true,"landing_page_url":"https://doi.org/10.5488/cmp.28.13701","pdf_url":null,"source":{"id":"https://openalex.org/S487226","display_name":"Condensed Matter Physics","issn_l":"1607-324X","issn":["1607-324X","2224-9079"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","norway-1","poland-40","russia-white-list-3"],"host_organization":"https://openalex.org/P4310322216","host_organization_name":"Institute for Condensed Matter Physics of NAS of Ukraine","host_organization_lineage":["https://openalex.org/P4310322216","https://openalex.org/P4310321802"],"host_organization_lineage_names":["Institute for Condensed Matter Physics of NAS of Ukraine","National Academy of Sciences of Ukraine"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Condensed Matter Physics","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:2503.18447","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2503.18447","pdf_url":"https://arxiv.org/pdf/2503.18447","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:doaj.org/article:4ec28370f1724aa79c373bb5bfcfeeac","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/4ec28370f1724aa79c373bb5bfcfeeac","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Condensed Matter Physics, Vol 28, Iss 1 (2025)","raw_type":"article"},{"id":"doi:10.48550/arxiv.2503.18447","doi":"https://doi.org/10.48550/arxiv.2503.18447","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2503.18447","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","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.5488/cmp.28.13701","doi":"https://doi.org/10.5488/cmp.28.13701","is_oa":true,"landing_page_url":"https://doi.org/10.5488/cmp.28.13701","pdf_url":null,"source":{"id":"https://openalex.org/S487226","display_name":"Condensed Matter Physics","issn_l":"1607-324X","issn":["1607-324X","2224-9079"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","norway-1","poland-40","russia-white-list-3"],"host_organization":"https://openalex.org/P4310322216","host_organization_name":"Institute for Condensed Matter Physics of NAS of Ukraine","host_organization_lineage":["https://openalex.org/P4310322216","https://openalex.org/P4310321802"],"host_organization_lineage_names":["Institute for Condensed Matter Physics of NAS of Ukraine","National Academy of Sciences of Ukraine"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Condensed Matter Physics","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320329081","display_name":"University of Tlemcen","ror":"https://ror.org/00jsjm362"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4408940690.pdf","grobid_xml":"https://content.openalex.org/works/W4408940690.grobid-xml"},"referenced_works_count":48,"referenced_works":["https://openalex.org/W606016143","https://openalex.org/W617139115","https://openalex.org/W832976576","https://openalex.org/W1952026569","https://openalex.org/W1965904439","https://openalex.org/W1980270490","https://openalex.org/W1982356449","https://openalex.org/W1984003326","https://openalex.org/W1992848689","https://openalex.org/W1997759102","https://openalex.org/W2026183855","https://openalex.org/W2027231172","https://openalex.org/W2041926223","https://openalex.org/W2048835561","https://openalex.org/W2073531811","https://openalex.org/W2088925839","https://openalex.org/W2104429066","https://openalex.org/W2105955911","https://openalex.org/W2115531048","https://openalex.org/W2147699377","https://openalex.org/W2152582037","https://openalex.org/W2323988707","https://openalex.org/W2467428603","https://openalex.org/W2472866839","https://openalex.org/W2505520685","https://openalex.org/W2594758347","https://openalex.org/W2778086665","https://openalex.org/W2778669142","https://openalex.org/W2948202465","https://openalex.org/W2950684936","https://openalex.org/W2979967646","https://openalex.org/W2997116687","https://openalex.org/W3001265614","https://openalex.org/W3007986139","https://openalex.org/W3012079378","https://openalex.org/W3041908919","https://openalex.org/W3048933627","https://openalex.org/W3084448515","https://openalex.org/W3120641464","https://openalex.org/W3138692086","https://openalex.org/W3157450407","https://openalex.org/W3170006484","https://openalex.org/W3173242579","https://openalex.org/W3207440639","https://openalex.org/W4224245669","https://openalex.org/W4321015027","https://openalex.org/W4388251752","https://openalex.org/W4390753519"],"related_works":["https://openalex.org/W4390753519","https://openalex.org/W2957367207","https://openalex.org/W2898601751","https://openalex.org/W2073308903","https://openalex.org/W1994511277","https://openalex.org/W2396595831","https://openalex.org/W2283324445","https://openalex.org/W2396440258","https://openalex.org/W3136126323","https://openalex.org/W2097083489"],"abstract_inverted_index":{"The":[0,42,76],"structural,":[1],"elastic,":[2],"thermodynamic":[3],"and":[4,23,128],"thermoelectric":[5,121,144],"characteristics":[6],"of":[7,86,95,102,119,130],"the":[8,15,24,29,50,57,69,83,87,93,105,109,116,137],"CeIr4P12":[9],"skutterudite":[10],"have":[11,73],"been":[12],"predicted":[13,43],"for":[14,143],"first":[16],"time":[17],"by":[18],"applying":[19],"density":[20],"functional":[21],"theory":[22],"semi-classical":[25],"Boltzmann":[26],"simulations.":[27],"Firstly,":[28],"structural-magnetic":[30],"stability":[31,85],"was":[32,79],"verified":[33],"through":[34],"ground-state":[35],"energy":[36,78,84],"calculations":[37],"obtained":[38],"from":[39],"structural":[40],"optimizations.":[41],"single-crystal":[44],"elastic":[45],"constants":[46],"(Cij)":[47],"show":[48],"that":[49,136],"title":[51],"compound":[52,138],"is":[53,139],"mechanically":[54],"stable.":[55],"At":[56],"same":[58],"time,":[59],"it":[60],"turns":[61],"out":[62],"to":[63,81],"be":[64],"dynamically":[65],"stable":[66],"where":[67],"all":[68],"calculated":[70,80],"phonon":[71],"frequencies":[72],"positive":[74],"values.":[75],"cohesive":[77],"verify":[82],"material":[88],"considered.":[89],"We":[90],"also":[91],"determined":[92],"variations":[94],"some":[96,120],"macroscopic":[97],"physical":[98],"parameters":[99],"as":[100,124],"functions":[101],"temperature,":[103],"namely":[104],"thermal":[106,111,126],"expansion":[107],"coefficient,":[108],"lattice":[110],"conductivity.":[112],"Furthermore,":[113],"we":[114],"investigated":[115],"temperature":[117],"dependencies":[118],"coefficients":[122],"such":[123],"electronic":[125],"conductivity,":[127],"figure":[129],"merit.":[131],"Such":[132],"encouraging":[133],"results":[134],"indicate":[135],"a":[140],"potential":[141],"candidate":[142],"devices.":[145]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2025-03-29T00:00:00"}