{"id":"https://openalex.org/W2901180936","doi":"https://doi.org/10.1088/1361-648x/ab4aa8","title":"Effect of intrinsic defects on the thermal conductivity of PbTe from classical molecular dynamics simulations","display_name":"Effect of intrinsic defects on the thermal conductivity of PbTe from classical molecular dynamics simulations","publication_year":2019,"publication_date":"2019-10-03","ids":{"openalex":"https://openalex.org/W2901180936","doi":"https://doi.org/10.1088/1361-648x/ab4aa8","mag":"2901180936","pmid":"https://pubmed.ncbi.nlm.nih.gov/31581146"},"language":"en","primary_location":{"id":"doi:10.1088/1361-648x/ab4aa8","doi":"https://doi.org/10.1088/1361-648x/ab4aa8","is_oa":false,"landing_page_url":"https://doi.org/10.1088/1361-648x/ab4aa8","pdf_url":null,"source":{"id":"https://openalex.org/S190924190","display_name":"Journal of Physics Condensed Matter","issn_l":"0953-8984","issn":["0953-8984","1361-648X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-1","medline","norway-1","poland-70","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":"Journal of Physics: Condensed Matter","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/1811.09319","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5036765414","display_name":"Javier F. Troncoso","orcid":"https://orcid.org/0000-0002-6163-8134","observed_orcids":["https://orcid.org/0000-0002-6163-8134"]},"institutions":[{"id":"https://openalex.org/I126231945","display_name":"Queen's University Belfast","ror":"https://ror.org/00hswnk62","country_code":"GB","type":"education","lineage":["https://openalex.org/I126231945"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Javier F Troncoso","raw_affiliation_strings":["Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, United Kingdom"],"raw_orcid":"https://orcid.org/0000-0002-6163-8134","affiliations":[{"raw_affiliation_string":"Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, United Kingdom","institution_ids":["https://openalex.org/I126231945"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019935771","display_name":"Pablo Aguado\u2010Puente","orcid":"https://orcid.org/0000-0001-6985-8038","observed_orcids":["https://orcid.org/0000-0001-6985-8038"]},"institutions":[{"id":"https://openalex.org/I126231945","display_name":"Queen's University Belfast","ror":"https://ror.org/00hswnk62","country_code":"GB","type":"education","lineage":["https://openalex.org/I126231945"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Pablo Aguado-Puente","raw_affiliation_strings":["Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, United Kingdom","institution_ids":["https://openalex.org/I126231945"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045373383","display_name":"Jorge Jos\u00e9 Kohanoff","orcid":"https://orcid.org/0000-0002-8237-7543","observed_orcids":["https://orcid.org/0000-0002-8237-7543"]},"institutions":[{"id":"https://openalex.org/I126231945","display_name":"Queen's University Belfast","ror":"https://ror.org/00hswnk62","country_code":"GB","type":"education","lineage":["https://openalex.org/I126231945"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Jorge Kohanoff","raw_affiliation_strings":["Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, United Kingdom"],"raw_orcid":"https://orcid.org/0000-0002-8237-7543","affiliations":[{"raw_affiliation_string":"Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, United Kingdom","institution_ids":["https://openalex.org/I126231945"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I126231945"],"apc_list":{"value":2700,"currency":"USD","value_usd":2700},"apc_paid":null,"fwci":1.4434,"has_fulltext":true,"cited_by_count":22,"citation_normalized_percentile":{"value":0.79395928,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"32","issue":"4","first_page":"045701","last_page":"045701"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11277","display_name":"Thermal properties of materials","score":0.9276999831199646,"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/T11277","display_name":"Thermal properties of materials","score":0.9276999831199646,"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/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.07129999995231628,"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/T12442","display_name":"Thermal Radiation and Cooling Technologies","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2205","display_name":"Civil and Structural 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/pbte","display_name":"PbTe","score":0.9380000233650208},{"id":"https://openalex.org/keywords/lattice-thermal-conductivity","display_name":"lattice thermal conductivity","score":0.9160000085830688},{"id":"https://openalex.org/keywords/intrinsic-point-defects","display_name":"intrinsic point defects","score":0.7960000038146973},{"id":"https://openalex.org/keywords/vacancies","display_name":"vacancies","score":0.9660000205039978},{"id":"https://openalex.org/keywords/grain-boundaries","display_name":"grain boundaries","score":0.9990000128746033},{"id":"https://openalex.org/keywords/phonon-scattering","display_name":"phonon scattering","score":0.9760000109672546},{"id":"https://openalex.org/keywords/thermoelectric-materials","display_name":"thermoelectric materials","score":0.968999981880188},{"id":"https://openalex.org/keywords/buckingham-potential","display_name":"Buckingham potential","score":0.9269999861717224},{"id":"https://openalex.org/keywords/grain-size-effects","display_name":"grain size effects","score":0.6269999742507935},{"id":"https://openalex.org/keywords/defect-concentration","display_name":"defect concentration","score":0.6449999809265137}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7459535598754883},{"id":"https://openalex.org/C97346530","wikidata":"https://www.wikidata.org/wiki/Q487005","display_name":"Thermal conductivity","level":2,"score":0.7117698788642883},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6214016079902649},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.6029043793678284},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.47791796922683716},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4761785864830017},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.4411512315273285},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.35788875818252563},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.34306636452674866},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2631984353065491},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.09211286902427673},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.06699353456497192},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":7,"locations":[{"id":"doi:10.1088/1361-648x/ab4aa8","doi":"https://doi.org/10.1088/1361-648x/ab4aa8","is_oa":false,"landing_page_url":"https://doi.org/10.1088/1361-648x/ab4aa8","pdf_url":null,"source":{"id":"https://openalex.org/S190924190","display_name":"Journal of Physics Condensed Matter","issn_l":"0953-8984","issn":["0953-8984","1361-648X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-1","medline","norway-1","poland-70","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":"Journal of Physics: Condensed Matter","raw_type":"journal-article"},{"id":"pmid:31581146","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31581146","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of physics. Condensed matter : an Institute of Physics journal","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:1811.09319","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1811.09319","pdf_url":"https://arxiv.org/pdf/1811.09319","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:pure.qub.ac.uk/portal:openaire/33489865-7c7e-490a-87af-7db3f9ec7eee","doi":null,"is_oa":true,"landing_page_url":"https://pure.qub.ac.uk/en/publications/33489865-7c7e-490a-87af-7db3f9ec7eee","pdf_url":"https://pureadmin.qub.ac.uk/ws/files/195152783/Javi_JPCM_postprint.pdf","source":{"id":"https://openalex.org/S4306402319","display_name":"Research Portal (Queen's University Belfast)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I126231945","host_organization_name":"Queen's University Belfast","host_organization_lineage":["https://openalex.org/I126231945"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Troncoso, J F, Aguado-Puente, P & Kohanoff, J 2019, 'Effect of intrinsic defects on the thermal conductivity of PbTe from classical molecular dynamics simulations', Journal of physics. Condensed matter : an Institute of Physics journal, vol. 32, no. 4, 045701, pp. 1. https://doi.org/10.1088/1361-648X/ab4aa8","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:repositorio.unican.es:10902/31636","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/10902/31636","pdf_url":"https://repositorio.unican.es/xmlui/bitstream/10902/31636/2/EffectIntrinsicDefects.pdf","source":{"id":"https://openalex.org/S4306400398","display_name":"UCrea (University of Cantabria)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I13134134","host_organization_name":"Universidad de Cantabria","host_organization_lineage":["https://openalex.org/I13134134"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Physics Condensed Matter, 2020, 32(4), 045701","raw_type":"info:eu-repo/semantics/article"},{"id":"doi:10.48550/arxiv.1811.09319","doi":"https://doi.org/10.48550/arxiv.1811.09319","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.1811.09319","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":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"},{"id":"mag:2901180936","doi":null,"is_oa":false,"landing_page_url":"https://meetings.aps.org/Meeting/MAR19/Session/S47.3","pdf_url":null,"source":{"id":"https://openalex.org/S2764664775","display_name":"Bulletin of the American Physical Society","issn_l":"0003-0503","issn":["0003-0503"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310311721","host_organization_name":"Cambridge University Press","host_organization_lineage":["https://openalex.org/P4310311721","https://openalex.org/P4310311702"],"host_organization_lineage_names":["Cambridge University Press","University of Cambridge"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"Bulletin of the American Physical Society","raw_type":null}],"best_oa_location":{"id":"pmh:oai:arXiv.org:1811.09319","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1811.09319","pdf_url":"https://arxiv.org/pdf/1811.09319","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"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1226538766","display_name":null,"funder_award_id":"P022561","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G2463073594","display_name":"Support for the UKCP consortium","funder_award_id":"EP/P022561/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G3039638855","display_name":"Thermoelectric efficiency of IV-VI and V2-VI3 materials driven near phase transitions","funder_award_id":"15/IA/3160","funder_id":"https://openalex.org/F4320320847","funder_display_name":"Science Foundation Ireland"},{"id":"https://openalex.org/G3216942080","display_name":null,"funder_award_id":"15/IA/3160","funder_id":"https://openalex.org/F4320316531","funder_display_name":"Department for the Economy"},{"id":"https://openalex.org/G4028632349","display_name":null,"funder_award_id":"EP/P022561","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G4495007283","display_name":"Support for the UKCP consortium","funder_award_id":"EP/P022626/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G4687243304","display_name":null,"funder_award_id":"EP/P022626/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G7206964577","display_name":"Tier 2 Hub in Materials and Molecular Modelling","funder_award_id":"EP/P020194/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G8173526563","display_name":null,"funder_award_id":"15/IA/","funder_id":"https://openalex.org/F4320320847","funder_display_name":"Science Foundation Ireland"}],"funders":[{"id":"https://openalex.org/F4320316531","display_name":"Department for the Economy","ror":"https://ror.org/0161w0r98"},{"id":"https://openalex.org/F4320320847","display_name":"Science Foundation Ireland","ror":"https://ror.org/0271asj38"},{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2901180936.pdf","grobid_xml":"https://content.openalex.org/works/W2901180936.grobid-xml"},"referenced_works_count":66,"referenced_works":["https://openalex.org/W18638522","https://openalex.org/W971766965","https://openalex.org/W1964617353","https://openalex.org/W1964907680","https://openalex.org/W1966299968","https://openalex.org/W1974350333","https://openalex.org/W1979758019","https://openalex.org/W1981922743","https://openalex.org/W1983696856","https://openalex.org/W1985371300","https://openalex.org/W1990240535","https://openalex.org/W1995945747","https://openalex.org/W1995952816","https://openalex.org/W1997420691","https://openalex.org/W2003633660","https://openalex.org/W2005775974","https://openalex.org/W2008375944","https://openalex.org/W2010455760","https://openalex.org/W2014155625","https://openalex.org/W2017347525","https://openalex.org/W2019465613","https://openalex.org/W2020245831","https://openalex.org/W2022470185","https://openalex.org/W2024552189","https://openalex.org/W2028859188","https://openalex.org/W2035213989","https://openalex.org/W2036113194","https://openalex.org/W2036217842","https://openalex.org/W2045048386","https://openalex.org/W2049310165","https://openalex.org/W2057502998","https://openalex.org/W2065490941","https://openalex.org/W2066108707","https://openalex.org/W2067328332","https://openalex.org/W2071548685","https://openalex.org/W2076218685","https://openalex.org/W2078241517","https://openalex.org/W2078338131","https://openalex.org/W2081585515","https://openalex.org/W2084055969","https://openalex.org/W2087935816","https://openalex.org/W2093643656","https://openalex.org/W2103285346","https://openalex.org/W2120145199","https://openalex.org/W2122399501","https://openalex.org/W2123554644","https://openalex.org/W2140514318","https://openalex.org/W2148596493","https://openalex.org/W2159150514","https://openalex.org/W2170438089","https://openalex.org/W2171610561","https://openalex.org/W2254966312","https://openalex.org/W2283315623","https://openalex.org/W2299765168","https://openalex.org/W2317805824","https://openalex.org/W2329225300","https://openalex.org/W2474337153","https://openalex.org/W2498739229","https://openalex.org/W2594758347","https://openalex.org/W2604481069","https://openalex.org/W2731060983","https://openalex.org/W2756472359","https://openalex.org/W2757069489","https://openalex.org/W2788976780","https://openalex.org/W2790257377","https://openalex.org/W2798766668"],"related_works":["https://openalex.org/W3095125073","https://openalex.org/W4412427251","https://openalex.org/W2066108707","https://openalex.org/W4410610388","https://openalex.org/W2044039816","https://openalex.org/W1938157332","https://openalex.org/W1998004812","https://openalex.org/W7015434270","https://openalex.org/W1977421464","https://openalex.org/W3017249093"],"abstract_inverted_index":{"Despite":[0],"being":[1,21],"the":[2,10,15,25,69,78,103,126,141,160],"archetypal":[3],"thermoelectric":[4],"material,":[5],"still":[6],"today":[7],"some":[8],"of":[9,17,27,47,54,71,80,85,102,106,129,135,164],"most":[11],"exciting":[12],"advances":[13],"in":[14,155],"efficiency":[16],"these":[18,72,81],"materials":[19],"are":[20],"achieved":[22],"by":[23,42,83],"tuning":[24],"properties":[26],"PbTe.":[28,166],"Its":[29],"inherently":[30],"low":[31],"lattice":[32,127,162],"thermal":[33,104],"conductivity":[34,105,128,163],"can":[35,65,124],"be":[36],"lowered":[37],"to":[38,132,159],"its":[39,136],"fundamental":[40],"limit":[41],"designing":[43],"a":[44,51,94,110,133],"structure":[45],"capable":[46],"scattering":[48,73],"phonons":[49],"over":[50,109],"wide":[52,111],"range":[53],"length":[55],"scales.":[56],"Intrinsic":[57],"defects,":[58],"such":[59],"as":[60],"vacancies":[61],"or":[62],"grain":[63,122,152],"boundaries,":[64],"and":[66,121,151],"do":[67],"play":[68],"role":[70],"sites.":[74],"Here":[75],"we":[76,91,144],"assess":[77],"effect":[79],"defects":[82,120],"means":[84],"molecular":[86],"dynamics":[87],"simulations.":[88],"For":[89],"this":[90,107],"purposely":[92],"parametrize":[93],"Buckingham":[95],"potential":[96],"that":[97,117,147],"provides":[98],"an":[99],"excellent":[100],"description":[101],"material":[108],"temperature":[112],"range.":[113],"Our":[114],"results":[115],"show":[116,146],"intrinsic":[118],"point":[119],"boundaries":[123],"reduce":[125],"PbTe":[130],"down":[131],"quarter":[134],"bulk":[137,161],"value.":[138],"By":[139],"studying":[140],"size":[142],"dependence":[143],"also":[145],"typical":[148],"defect":[149],"concentrations":[150],"sizes":[153],"realized":[154],"experiments":[156],"normally":[157],"correspond":[158],"pristine":[165]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":6}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2018-11-29T00:00:00"}