{"id":"https://openalex.org/W2397339738","doi":"https://doi.org/10.1155/2016/7296847","title":"DFT Study on the Carrier Concentration and Temperature-Dependent Thermoelectric Properties of Antimony Selenide","display_name":"DFT Study on the Carrier Concentration and Temperature-Dependent Thermoelectric Properties of Antimony Selenide","publication_year":2016,"publication_date":"2016-05-25","ids":{"openalex":"https://openalex.org/W2397339738","doi":"https://doi.org/10.1155/2016/7296847","mag":"2397339738"},"language":"en","primary_location":{"id":"doi:10.1155/2016/7296847","doi":"https://doi.org/10.1155/2016/7296847","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2016/7296847","pdf_url":"https://downloads.hindawi.com/archive/2016/7296847.pdf","source":{"id":"https://openalex.org/S2737323092","display_name":"Indian Journal of Materials Science","issn_l":"2314-7490","issn":["2314-7490"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Indian Journal of Materials Science","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://downloads.hindawi.com/archive/2016/7296847.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5026100515","display_name":"Aditya Jayaraman","orcid":"https://orcid.org/0000-0002-6963-7195","observed_orcids":["https://orcid.org/0000-0002-6963-7195"]},"institutions":[{"id":"https://openalex.org/I4819740","display_name":"Sri Sathya Sai Institute of Higher Learning","ror":"https://ror.org/05arzt710","country_code":"IN","type":"education","lineage":["https://openalex.org/I4819740"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Aditya Jayaraman","raw_affiliation_strings":["Department of Physics, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam 515134, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam 515134, India","institution_ids":["https://openalex.org/I4819740"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040774974","display_name":"Abhijit Bhat Kademane","orcid":"https://orcid.org/0000-0003-1829-1929","observed_orcids":["https://orcid.org/0000-0003-1829-1929"]},"institutions":[{"id":"https://openalex.org/I4819740","display_name":"Sri Sathya Sai Institute of Higher Learning","ror":"https://ror.org/05arzt710","country_code":"IN","type":"education","lineage":["https://openalex.org/I4819740"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Abhijit Bhat Kademane","raw_affiliation_strings":["Department of Physics, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam 515134, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam 515134, India","institution_ids":["https://openalex.org/I4819740"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5057483555","display_name":"Muralikrishna Molli","orcid":"https://orcid.org/0000-0002-2587-7517","observed_orcids":["https://orcid.org/0000-0002-2587-7517"]},"institutions":[{"id":"https://openalex.org/I4819740","display_name":"Sri Sathya Sai Institute of Higher Learning","ror":"https://ror.org/05arzt710","country_code":"IN","type":"education","lineage":["https://openalex.org/I4819740"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Muralikrishna Molli","raw_affiliation_strings":["Department of Physics, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam 515134, India"],"raw_orcid":"https://orcid.org/0000-0002-2587-7517","affiliations":[{"raw_affiliation_string":"Department of Physics, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam 515134, India","institution_ids":["https://openalex.org/I4819740"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5057483555"],"corresponding_institution_ids":["https://openalex.org/I4819740"],"apc_list":null,"apc_paid":null,"fwci":0.1282,"has_fulltext":true,"cited_by_count":19,"citation_normalized_percentile":{"value":0.4140673,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"2016","issue":null,"first_page":"1","last_page":"7"},"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/sb2se3","display_name":"Sb2Se3","score":0.996999979019165},{"id":"https://openalex.org/keywords/thermoelectric-properties","display_name":"thermoelectric properties","score":0.9980000257492065},{"id":"https://openalex.org/keywords/carrier-concentration","display_name":"carrier concentration","score":0.7799999713897705},{"id":"https://openalex.org/keywords/temperature-dependence","display_name":"temperature dependence","score":0.8799999952316284},{"id":"https://openalex.org/keywords/band-structure","display_name":"electronic band structure","score":0.8640000224113464},{"id":"https://openalex.org/keywords/seebeck-coefficient","display_name":"Seebeck coefficient","score":0.9570000171661377},{"id":"https://openalex.org/keywords/electronic-thermal-conductivity","display_name":"electronic thermal conductivity","score":0.8370000123977661},{"id":"https://openalex.org/keywords/electrical-conductivity","display_name":"electrical conductivity","score":0.9909999966621399},{"id":"https://openalex.org/keywords/constant-relaxation-time-approximation","display_name":"constant relaxation time approximation","score":0.6769999861717224}],"concepts":[{"id":"https://openalex.org/C112625512","wikidata":"https://www.wikidata.org/wiki/Q1091448","display_name":"Seebeck coefficient","level":3,"score":0.54786616563797},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4829199016094208},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.44595882296562195},{"id":"https://openalex.org/C97346530","wikidata":"https://www.wikidata.org/wiki/Q487005","display_name":"Thermal conductivity","level":2,"score":0.4056480824947357},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.34050896763801575},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.336171418428421},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.26880306005477905},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.252813458442688},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.22537463903427124},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.17395836114883423},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.15631118416786194},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1155/2016/7296847","doi":"https://doi.org/10.1155/2016/7296847","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2016/7296847","pdf_url":"https://downloads.hindawi.com/archive/2016/7296847.pdf","source":{"id":"https://openalex.org/S2737323092","display_name":"Indian Journal of Materials Science","issn_l":"2314-7490","issn":["2314-7490"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Indian Journal of Materials Science","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1155/2016/7296847","doi":"https://doi.org/10.1155/2016/7296847","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2016/7296847","pdf_url":"https://downloads.hindawi.com/archive/2016/7296847.pdf","source":{"id":"https://openalex.org/S2737323092","display_name":"Indian Journal of Materials Science","issn_l":"2314-7490","issn":["2314-7490"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869","https://openalex.org/P4310320595"],"host_organization_lineage_names":["Hindawi Publishing Corporation","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Indian Journal of Materials Science","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1857529755","display_name":null,"funder_award_id":"SR/FST/PSI\u2010172/2012","funder_id":"https://openalex.org/F4320320719","funder_display_name":"Department of Science and Technology, Ministry of Science and Technology, India"},{"id":"https://openalex.org/G4269174209","display_name":null,"funder_award_id":"09/982(0001)/2009-EMR-I","funder_id":"https://openalex.org/F4320320721","funder_display_name":"Council of Scientific and Industrial Research, India"},{"id":"https://openalex.org/G6571109775","display_name":null,"funder_award_id":"SR/FST/PSI-172/2012","funder_id":"https://openalex.org/F4320320721","funder_display_name":"Council of Scientific and Industrial Research, India"}],"funders":[{"id":"https://openalex.org/F4320320719","display_name":"Department of Science and Technology, Ministry of Science and Technology, India","ror":"https://ror.org/0101xrq71"},{"id":"https://openalex.org/F4320320721","display_name":"Council of Scientific and Industrial Research, India","ror":"https://ror.org/021wm7p51"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2397339738.pdf","grobid_xml":"https://content.openalex.org/works/W2397339738.grobid-xml"},"referenced_works_count":19,"referenced_works":["https://openalex.org/W87346397","https://openalex.org/W1965905995","https://openalex.org/W1991455126","https://openalex.org/W2001755358","https://openalex.org/W2009114314","https://openalex.org/W2011034771","https://openalex.org/W2031030010","https://openalex.org/W2042695504","https://openalex.org/W2044576858","https://openalex.org/W2069629139","https://openalex.org/W2070054865","https://openalex.org/W2081870935","https://openalex.org/W2085668073","https://openalex.org/W2087122529","https://openalex.org/W2094793007","https://openalex.org/W2120831645","https://openalex.org/W2186850600","https://openalex.org/W2317025365","https://openalex.org/W2467983930"],"related_works":["https://openalex.org/W2001666154","https://openalex.org/W2090510543","https://openalex.org/W2216409210","https://openalex.org/W3093888760","https://openalex.org/W3098011983","https://openalex.org/W2808009569","https://openalex.org/W7043505464","https://openalex.org/W1612867781","https://openalex.org/W4402611144","https://openalex.org/W2068935805"],"abstract_inverted_index":{"We":[0,14],"present":[1],"the":[2,16,21,25,28,40,80,170],"thermoelectric":[3,160,176],"properties":[4,33,161],"of":[5,27,182],"Antimony":[6],"Selenide":[7],"(Sb2Se3)":[8],"obtained":[9],"using":[10,20,36,39],"first":[11],"principles":[12],"calculations.":[13],"investigated":[15],"electronic":[17,85,113],"band":[18],"structure":[19],"FP-LAPW":[22],"method":[23],"within":[24],"sphere":[26],"density":[29],"functional":[30],"theory.":[31],"Thermoelectric":[32],"were":[34,162],"calculated":[35,164],"BoltzTrap":[37],"code":[38],"constant":[41,78],"relaxation":[42],"time":[43],"(":[44,61,73,88],"\u03c4":[45],")":[46,63,75,90],"approximation":[47],"at":[48],"three":[49],"different":[50,166],"temperatures":[51,183],"300":[52,105,125,148,185],"K,":[53,55],"600":[54],"and":[56,84,137,169],"800":[57,111,135,157],"K.":[58],"Seebeck":[59],"coefficient":[60],"S":[62,99],"was":[64,76,190],"found":[65,191],"to":[66,107,127,150,187],"decrease":[67],"with":[68,92],"increasing":[69,93],"temperature,":[70],"electrical":[71,138],"conductivity":[72,87,115,139],"\u03c3/\u03c4":[74],"almost":[77],"in":[79,97],"entire":[81],"temperature":[82,98],"range,":[83],"thermal":[86,114],"\u03ba/\u03c4":[89],"increased":[91,116],"temperature.":[94],"With":[95],"increase":[96],"decreased":[100,140],"from":[101,117,141],"1870":[102],"\u03bcV/K":[103,109],"(at":[104,110,124,134,147,156],"K)":[106,126,149,189],"719":[108],"K),":[112,136],"1.56":[118],"\u00d7":[119,129,143,152],"1015":[120,130],"W/m":[121,131],"K":[122,132,186],"s":[123,133,146,155],"3.92":[128],"22":[142],"1019/\u03a9":[144,153],"m":[145,154],"20":[151],"K).":[158],"The":[159],"also":[163],"for":[165,173,192],"hole":[167,193],"concentrations":[168],"optimum":[171],"concentration":[172,194],"a":[174,179],"good":[175],"performance":[177],"over":[178],"large":[180],"range":[181],"(from":[184],"1000":[188],"around":[195],"1019":[196],"cm\u22123.":[197]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2017,"cited_by_count":1}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2016-06-24T00:00:00"}
