{"license":"https://creativecommons.org/licenses/by-nc-nd/4.0/","oa_version":"Published Version","file_date_updated":"2025-10-21T10:02:15Z","external_id":{"pmid":["41052324"]},"ec_funded":1,"page":"e2415664122","language":[{"iso":"eng"}],"quality_controlled":"1","tmp":{"name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","image":"/images/cc_by_nc_nd.png","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode","short":"CC BY-NC-ND (4.0)"},"article_processing_charge":"No","title":"Lattice distortion leads to glassy thermal transport in crystalline Cs3Bi2I6Cl3","acknowledgement":"Z.Z. acknowledges the European Union’s Horizon2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 101034413. We acknowledge the high-performance computing facilities offered by Institute of Science and Technology Austria and The University of Hong Kong.","doi":"10.1073/pnas.2415664122","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"eissn":["1091-6490"]},"ddc":["540"],"oa":1,"file":[{"relation":"main_file","creator":"dernst","content_type":"application/pdf","access_level":"open_access","success":1,"checksum":"3f9cd0d67ffe9110fb238407671584b7","file_id":"20513","file_name":"2025_PNAS_Zeng.pdf","date_created":"2025-10-21T10:02:15Z","file_size":12244843,"date_updated":"2025-10-21T10:02:15Z"}],"date_published":"2025-10-14T00:00:00Z","article_type":"original","scopus_import":"1","citation":{"ieee":"Z. Zeng et al., “Lattice distortion leads to glassy thermal transport in crystalline Cs3Bi2I6Cl3,” Proceedings of the National Academy of Sciences of the United States of America, vol. 122, no. 41. National Academy of Sciences, p. e2415664122, 2025.","apa":"Zeng, Z., Fan, Z., Simoncelli, M., Chen, C., Liang, T., Chen, Y., … Cheng, B. (2025). Lattice distortion leads to glassy thermal transport in crystalline Cs3Bi2I6Cl3. Proceedings of the National Academy of Sciences of the United States of America. National Academy of Sciences. https://doi.org/10.1073/pnas.2415664122","chicago":"Zeng, Zezhu, Zheyong Fan, Michele Simoncelli, Chen Chen, Ting Liang, Yue Chen, Geoff Thornton, and Bingqing Cheng. “Lattice Distortion Leads to Glassy Thermal Transport in Crystalline Cs3Bi2I6Cl3.” Proceedings of the National Academy of Sciences of the United States of America. National Academy of Sciences, 2025. https://doi.org/10.1073/pnas.2415664122.","ista":"Zeng Z, Fan Z, Simoncelli M, Chen C, Liang T, Chen Y, Thornton G, Cheng B. 2025. Lattice distortion leads to glassy thermal transport in crystalline Cs3Bi2I6Cl3. Proceedings of the National Academy of Sciences of the United States of America. 122(41), e2415664122.","ama":"Zeng Z, Fan Z, Simoncelli M, et al. Lattice distortion leads to glassy thermal transport in crystalline Cs3Bi2I6Cl3. Proceedings of the National Academy of Sciences of the United States of America. 2025;122(41):e2415664122. doi:10.1073/pnas.2415664122","short":"Z. Zeng, Z. Fan, M. Simoncelli, C. Chen, T. Liang, Y. Chen, G. Thornton, B. Cheng, Proceedings of the National Academy of Sciences of the United States of America 122 (2025) e2415664122.","mla":"Zeng, Zezhu, et al. “Lattice Distortion Leads to Glassy Thermal Transport in Crystalline Cs3Bi2I6Cl3.” Proceedings of the National Academy of Sciences of the United States of America, vol. 122, no. 41, National Academy of Sciences, 2025, p. e2415664122, doi:10.1073/pnas.2415664122."},"date_updated":"2025-10-21T10:54:37Z","project":[{"grant_number":"101034413","call_identifier":"H2020","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","name":"IST-BRIDGE: International postdoctoral program"}],"PlanS_conform":"1","acknowledged_ssus":[{"_id":"ScienComp"}],"has_accepted_license":"1","pmid":1,"type":"journal_article","publisher":"National Academy of Sciences","month":"10","day":"14","related_material":{"link":[{"url":"https://github.com/ZengZezhu/Cs3Bi2I6Cl3_heat_conductivity","relation":"software"}]},"department":[{"_id":"BiCh"}],"corr_author":"1","_id":"20492","intvolume":" 122","issue":"41","volume":122,"status":"public","publication":"Proceedings of the National Academy of Sciences of the United States of America","publication_status":"published","OA_type":"hybrid","abstract":[{"text":"The glassy thermal conductivities observed in crystalline inorganic perovskites such as Cs3Bi2I6Cl3 are perplexing and lacking theoretical explanations. Here, we first experimentally measure its thermal transport behavior from 20 to 300 K, after synthesizing Cs3Bi2I6Cl3 single crystals. Using path-integral molecular dynamics simulations driven by machine learning potentials, we reveal that Cs3Bi2I6Cl3 has large lattice distortions at low temperatures, which may be related to the large atomic size mismatch. Employing the Wigner formulation of thermal transport, we reproduce theexperimental thermal conductivities based on lattice-distorted structures. This studythus provides a framework for predicting and understanding glassy thermal transportin materials with strong lattice disorder.","lang":"eng"}],"year":"2025","date_created":"2025-10-19T22:01:31Z","author":[{"id":"54a2c730-803f-11ed-ab7e-95b29d2680e7","last_name":"Zeng","first_name":"Zezhu","orcid":"0000-0001-5126-4928","full_name":"Zeng, Zezhu"},{"first_name":"Zheyong","full_name":"Fan, Zheyong","last_name":"Fan"},{"full_name":"Simoncelli, Michele","first_name":"Michele","last_name":"Simoncelli"},{"last_name":"Chen","first_name":"Chen","full_name":"Chen, Chen"},{"first_name":"Ting","full_name":"Liang, Ting","last_name":"Liang"},{"first_name":"Yue","full_name":"Chen, Yue","last_name":"Chen"},{"full_name":"Thornton, Geoff","first_name":"Geoff","last_name":"Thornton"},{"id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","last_name":"Cheng","first_name":"Bingqing","full_name":"Cheng, Bingqing","orcid":"0000-0002-3584-9632"}],"OA_place":"publisher"}