{"doi":"10.1063/1.3091267","title":"Thermoelectric properties of p-type LiZnSb: Assessment of <i>ab initio</i> calculations","abstract":"<jats:p>In response to theoretical calculations on the thermoelectric performance of LiZnSb, we report the pertinent transport properties between room temperature and 523 K. Nominal LiZnSb samples are found to be p-type, with a carrier concentration in the range (4–7)×1020 cm−3. The thermoelectric figure of merit (zT) is found to be 0.02–0.08 at 523 K. Analysis of material transport parameters and previously reported ab initio calculations demonstrates that even with optimal doping, p-type LiZnSb is unlikely to achieve zT&amp;gt;0.2 at 523 K. The accuracy of the high zT estimate (zT&amp;gt;2) for n-type compositions from ab initio calculations is discussed within the current synthetic limits.</jats:p>","journal":"Journal of Applied Physics","year":2009,"id":28809,"datarank":3.7586775393448804,"base_score":4.330733340286331,"endowment":4.330733340286331,"self_citation_contribution":0.6496100010429497,"citation_network_contribution":3.1090675383019306,"self_endowment_contribution":0.6496100010429497,"citer_contribution":3.1090675383019306,"corpus_percentile":null,"corpus_rank":null,"citation_count":75,"citer_count":60,"citers_with_citation_signal":51,"citers_with_endowment":51,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":160427,"name":"Andrew F. May","orcid":null,"position":1,"is_corresponding":false},{"id":160429,"name":"Cidney J. Scanlon","orcid":null,"position":2,"is_corresponding":false},{"id":160431,"name":"G. Jeffery Snyder","orcid":null,"position":3,"is_corresponding":false},{"id":49230,"name":"Eric S. Toberer","orcid":"0000-0003-0826-2446","position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"base_score":4.330733340286331,"endowment":4.330733340286331,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"24523987","pmcid":null,"openalex_id":"https://openalex.org/W2063391978","authors":[],"funders":[],"total_grants":0,"fwci":1.7695,"citation_percentile":0.85019235,"influential_citations":0,"citation_trend":[{"year":2012,"count":3},{"year":2013,"count":3},{"year":2014,"count":2},{"year":2015,"count":2},{"year":2016,"count":5},{"year":2017,"count":5},{"year":2018,"count":7},{"year":2019,"count":7},{"year":2020,"count":5},{"year":2021,"count":7},{"year":2022,"count":5},{"year":2023,"count":3},{"year":2024,"count":4},{"year":2025,"count":5},{"year":2026,"count":4}],"oa_status":"bronze","license":null,"oa_locations":[{"url":"https://pubs.aip.org/aip/jap/article-pdf/doi/10.1063/1.3091267/14838118/063701_1_online.pdf","host_type":"journal"},{"url":"https://authors.library.caltech.edu/records/81kmd-tsx34/files/Toberer2009p1680J_Appl_Phys.pdf?download=1","host_type":"GREEN"},{"url":"https://pubs.aip.org/aip/jap/article-pdf/doi/10.1063/1.3091267/14838118/063701_1_online.pdf","host_type":"publisher"},{"url":"https://doi.org/10.1063/1.3091267","host_type":"journal"},{"url":"https://authors.library.caltech.edu/15516/","host_type":"repository"}],"fields_of_study":["Advanced Thermoelectric Materials and Devices","Chalcogenide Semiconductor Thin Films","Heusler alloys: electronic and magnetic properties","Materials Science","Physics"],"mesh_terms":[],"keywords":["Ab initio","Thermoelectric effect","Ab initio quantum chemistry methods","Materials science","Figure of merit","Doping","Thermoelectric materials","Condensed matter physics","Atmospheric temperature range","Thermodynamics","Chemistry","Physics","Optoelectronics"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-06-08T22:11:02.323099Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}