{"id":"https://openalex.org/W2267405982","doi":"https://doi.org/10.1088/1674-1056/20/4/046103","title":"Theoretical investigation of the thermoelectric transport properties of BaSi2","display_name":"Theoretical investigation of the thermoelectric transport properties of BaSi2","publication_year":2011,"publication_date":"2011-04-01","ids":{"openalex":"https://openalex.org/W2267405982","doi":"https://doi.org/10.1088/1674-1056/20/4/046103","mag":"2267405982"},"language":"en","primary_location":{"id":"doi:10.1088/1674-1056/20/4/046103","doi":"https://doi.org/10.1088/1674-1056/20/4/046103","is_oa":true,"landing_page_url":"https://doi.org/10.1088/1674-1056/20/4/046103","pdf_url":"https://iopscience.iop.org/article/10.1088/1674-1056/20/4/046103/pdf","source":{"id":"https://openalex.org/S33442941","display_name":"Chinese Physics B","issn_l":"1674-1056","issn":["1674-1056","2058-3834"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chinese Physics B","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://iopscience.iop.org/article/10.1088/1674-1056/20/4/046103/pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5088499993","display_name":"Hua Peng","orcid":"https://orcid.org/0000-0002-6507-6116","observed_orcids":["https://orcid.org/0000-0002-6507-6116"]},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]},{"id":"https://openalex.org/I4391768157","display_name":"State Key Laboratory of Crystal Materials","ror":"https://ror.org/01jjraa45","country_code":"CN","type":"facility","lineage":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hua Peng","raw_affiliation_strings":["School of Physics,State key Laboratory of Crystal Materials,Shandong University,Jinan 250100,China)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics,State key Laboratory of Crystal Materials,Shandong University,Jinan 250100,China)","institution_ids":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Chun-Lei Wang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]},{"id":"https://openalex.org/I4391768157","display_name":"State Key Laboratory of Crystal Materials","ror":"https://ror.org/01jjraa45","country_code":"CN","type":"facility","lineage":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chun-Lei Wang","raw_affiliation_strings":["School of Physics,State key Laboratory of Crystal Materials,Shandong University,Jinan 250100,China)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics,State key Laboratory of Crystal Materials,Shandong University,Jinan 250100,China)","institution_ids":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Ji-Chao Li","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]},{"id":"https://openalex.org/I4391768157","display_name":"State Key Laboratory of Crystal Materials","ror":"https://ror.org/01jjraa45","country_code":"CN","type":"facility","lineage":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ji-Chao Li","raw_affiliation_strings":[") School of Physics , State Key Laboratory of Crystal Materials , Shandong University , Jinan 250100 , China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":") School of Physics , State Key Laboratory of Crystal Materials , Shandong University , Jinan 250100 , China","institution_ids":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079796208","display_name":"Ruizhi Zhang","orcid":"https://orcid.org/0000-0001-7229-769X","observed_orcids":["https://orcid.org/0000-0001-7229-769X","https://orcid.org/0009-0009-4120-6105"]},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]},{"id":"https://openalex.org/I4391768157","display_name":"State Key Laboratory of Crystal Materials","ror":"https://ror.org/01jjraa45","country_code":"CN","type":"facility","lineage":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Rui-Zhi Zhang","raw_affiliation_strings":["School of Physics,State key Laboratory of Crystal Materials,Shandong University,Jinan 250100,China)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics,State key Laboratory of Crystal Materials,Shandong University,Jinan 250100,China)","institution_ids":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029660431","display_name":"Hong-Chao Wang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]},{"id":"https://openalex.org/I4391768157","display_name":"State Key Laboratory of Crystal Materials","ror":"https://ror.org/01jjraa45","country_code":"CN","type":"facility","lineage":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hong-Chao Wang","raw_affiliation_strings":[") School of Physics , State Key Laboratory of Crystal Materials , Shandong University , Jinan 250100 , China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":") School of Physics , State Key Laboratory of Crystal Materials , Shandong University , Jinan 250100 , China","institution_ids":["https://openalex.org/I154099455","https://openalex.org/I4391768157"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100576297","display_name":"Yi Sun","orcid":"https://orcid.org/0009-0008-5173-3745","observed_orcids":["https://orcid.org/0009-0008-5173-3745","https://orcid.org/0009-0002-6423-7616"]},"institutions":[{"id":"https://openalex.org/I4210103745","display_name":"Changji University","ror":"https://ror.org/016j41127","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210103745"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yi Sun","raw_affiliation_strings":["Physics Department, Changji University, Changji 831100, Xinjiang Uygur Autonomous Region, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Physics Department, Changji University, Changji 831100, Xinjiang Uygur Autonomous Region, China","institution_ids":["https://openalex.org/I4210103745"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2500,"currency":"USD","value_usd":2500},"apc_paid":null,"fwci":0.5548,"has_fulltext":true,"cited_by_count":15,"citation_normalized_percentile":{"value":0.59366867,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":96},"biblio":{"volume":"20","issue":"4","first_page":"046103","last_page":"046103"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":1.0,"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":1.0,"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/T11277","display_name":"Thermal properties of materials","score":0.0,"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/T13251","display_name":"Electrical and Thermal Properties of Materials","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/basi2","display_name":"BaSi2","score":0.9520000219345093},{"id":"https://openalex.org/keywords/thermoelectric-transport","display_name":"thermoelectric transport","score":0.796999990940094},{"id":"https://openalex.org/keywords/seebeck-coefficient","display_name":"Seebeck coefficient","score":0.9470000267028809},{"id":"https://openalex.org/keywords/figure-of-merit","display_name":"figure of merit","score":0.8450000286102295},{"id":"https://openalex.org/keywords/electrical-conductivity","display_name":"electrical conductivity","score":0.9279999732971191},{"id":"https://openalex.org/keywords/anisotropy","display_name":"anisotropy","score":0.8420000076293945},{"id":"https://openalex.org/keywords/carrier-concentration","display_name":"carrier concentration","score":0.8180000185966492},{"id":"https://openalex.org/keywords/doping-optimization","display_name":"doping optimization","score":0.675000011920929},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.7289999723434448},{"id":"https://openalex.org/keywords/boltzmann-transport-theory","display_name":"Boltzmann transport theory","score":0.9079999923706055}],"concepts":[{"id":"https://openalex.org/C112625512","wikidata":"https://www.wikidata.org/wiki/Q1091448","display_name":"Seebeck coefficient","level":3,"score":0.8663204908370972},{"id":"https://openalex.org/C130277099","wikidata":"https://www.wikidata.org/wiki/Q3676605","display_name":"Figure of merit","level":2,"score":0.7585291266441345},{"id":"https://openalex.org/C35304006","wikidata":"https://www.wikidata.org/wiki/Q5962","display_name":"Boltzmann constant","level":2,"score":0.7503416538238525},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.7195260524749756},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6432535648345947},{"id":"https://openalex.org/C63024428","wikidata":"https://www.wikidata.org/wiki/Q552456","display_name":"Thermoelectric effect","level":2,"score":0.6417458057403564},{"id":"https://openalex.org/C69990965","wikidata":"https://www.wikidata.org/wiki/Q65402698","display_name":"Electrical resistivity and conductivity","level":2,"score":0.6174502372741699},{"id":"https://openalex.org/C85725439","wikidata":"https://www.wikidata.org/wiki/Q466686","display_name":"Anisotropy","level":2,"score":0.5696995258331299},{"id":"https://openalex.org/C165995430","wikidata":"https://www.wikidata.org/wiki/Q891653","display_name":"Boltzmann equation","level":2,"score":0.525036096572876},{"id":"https://openalex.org/C57863236","wikidata":"https://www.wikidata.org/wiki/Q1130571","display_name":"Doping","level":2,"score":0.48137953877449036},{"id":"https://openalex.org/C207365445","wikidata":"https://www.wikidata.org/wiki/Q15020929","display_name":"Thermoelectric materials","level":3,"score":0.44596636295318604},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.4246237874031067},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.23719096183776855},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.23107612133026123},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.13900476694107056},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09574338793754578},{"id":"https://openalex.org/C77805123","wikidata":"https://www.wikidata.org/wiki/Q161272","display_name":"Social psychology","level":1,"score":0.0},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1088/1674-1056/20/4/046103","doi":"https://doi.org/10.1088/1674-1056/20/4/046103","is_oa":true,"landing_page_url":"https://doi.org/10.1088/1674-1056/20/4/046103","pdf_url":"https://iopscience.iop.org/article/10.1088/1674-1056/20/4/046103/pdf","source":{"id":"https://openalex.org/S33442941","display_name":"Chinese Physics B","issn_l":"1674-1056","issn":["1674-1056","2058-3834"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chinese Physics B","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1088/1674-1056/20/4/046103","doi":"https://doi.org/10.1088/1674-1056/20/4/046103","is_oa":true,"landing_page_url":"https://doi.org/10.1088/1674-1056/20/4/046103","pdf_url":"https://iopscience.iop.org/article/10.1088/1674-1056/20/4/046103/pdf","source":{"id":"https://openalex.org/S33442941","display_name":"Chinese Physics B","issn_l":"1674-1056","issn":["1674-1056","2058-3834"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320083","host_organization_name":"IOP Publishing","host_organization_lineage":["https://openalex.org/P4310320083","https://openalex.org/P4310311669"],"host_organization_lineage_names":["IOP Publishing","Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chinese Physics B","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G8249198637","display_name":null,"funder_award_id":"2007CB607504","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"}],"funders":[{"id":"https://openalex.org/F4320311026","display_name":"Shandong University","ror":"https://ror.org/0207yh398"},{"id":"https://openalex.org/F4320335456","display_name":"Independent Innovation Foundation of Shandong University","ror":null},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2267405982.pdf","grobid_xml":"https://content.openalex.org/works/W2267405982.grobid-xml"},"referenced_works_count":19,"referenced_works":["https://openalex.org/W389868541","https://openalex.org/W858966721","https://openalex.org/W1627431514","https://openalex.org/W1655859996","https://openalex.org/W1981368803","https://openalex.org/W1985403817","https://openalex.org/W1986011142","https://openalex.org/W2015178818","https://openalex.org/W2016215571","https://openalex.org/W2016370530","https://openalex.org/W2021841274","https://openalex.org/W2022539733","https://openalex.org/W2026451268","https://openalex.org/W2034049449","https://openalex.org/W2043284050","https://openalex.org/W2044415103","https://openalex.org/W2081870935","https://openalex.org/W2298022127","https://openalex.org/W2319344044"],"related_works":["https://openalex.org/W2322270438","https://openalex.org/W2016215571","https://openalex.org/W2050935020","https://openalex.org/W1627431514","https://openalex.org/W4226342206","https://openalex.org/W2089617001","https://openalex.org/W2230917799","https://openalex.org/W2974186230","https://openalex.org/W2512807586","https://openalex.org/W3026172743"],"abstract_inverted_index":{"The":[0,68],"full-potential":[1],"linear":[2],"augmented":[3],"plane":[4],"wave":[5],"method":[6],"based":[7],"on":[8],"density":[9],"functional":[10],"theory":[11],"is":[12,62,75],"employed":[13],"to":[14,77,93],"investigate":[15],"the":[16,24,32,59],"electronic":[17],"structure":[18],"of":[19,39,53,70,72],"BaSi":[20,73],"2":[21,74],".":[22],"With":[23],"constant":[25],"relaxation":[26],"time":[27],"and":[28,37],"rigid":[29],"band":[30],"approximation,":[31],"electrical":[33,66],"conductivity,":[34],"Seebeck":[35,60],"coefficient":[36,61],"figure":[38,69],"merit":[40,71],"are":[41],"calculated":[42],"by":[43],"using":[44],"Boltzmann":[45],"transport":[46],"theory,":[47],"further":[48],"evaluated":[49],"as":[50],"a":[51],"function":[52],"carrier":[54],"concentration.":[55],"We":[56],"find":[57],"that":[58,85],"more":[63],"anisotropic":[64],"than":[65],"conductivity.":[67],"predicted":[76],"be":[78,89],"quite":[79],"high":[80],"at":[81],"room":[82],"temperature,":[83],"implying":[84],"optimal":[86],"doping":[87],"may":[88],"an":[90],"effective":[91],"way":[92],"improve":[94],"thermoelectric":[95],"properties.":[96]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-01T11:40:01.658920","created_date":"2016-06-24T00:00:00"}