{"citation":{"short":"Z. Zeng, X. Shen, R. Cheng, O. Perez, N. Ouyang, Z. Fan, P. Lemoine, B. Raveau, E. Guilmeau, Y. Chen, Nature Communications 15 (2024).","chicago":"Zeng, Zezhu, Xingchen Shen, Ruihuan Cheng, Olivier Perez, Niuchang Ouyang, Zheyong Fan, Pierric Lemoine, Bernard Raveau, Emmanuel Guilmeau, and Yue Chen. “Pushing Thermal Conductivity to Its Lower Limit in Crystals with Simple Structures.” <i>Nature Communications</i>. Springer Nature, 2024. <a href=\"https://doi.org/10.1038/s41467-024-46799-3\">https://doi.org/10.1038/s41467-024-46799-3</a>.","ieee":"Z. Zeng <i>et al.</i>, “Pushing thermal conductivity to its lower limit in crystals with simple structures,” <i>Nature Communications</i>, vol. 15. Springer Nature, 2024.","mla":"Zeng, Zezhu, et al. “Pushing Thermal Conductivity to Its Lower Limit in Crystals with Simple Structures.” <i>Nature Communications</i>, vol. 15, 3007, Springer Nature, 2024, doi:<a href=\"https://doi.org/10.1038/s41467-024-46799-3\">10.1038/s41467-024-46799-3</a>.","ama":"Zeng Z, Shen X, Cheng R, et al. Pushing thermal conductivity to its lower limit in crystals with simple structures. <i>Nature Communications</i>. 2024;15. doi:<a href=\"https://doi.org/10.1038/s41467-024-46799-3\">10.1038/s41467-024-46799-3</a>","apa":"Zeng, Z., Shen, X., Cheng, R., Perez, O., Ouyang, N., Fan, Z., … Chen, Y. (2024). Pushing thermal conductivity to its lower limit in crystals with simple structures. <i>Nature Communications</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41467-024-46799-3\">https://doi.org/10.1038/s41467-024-46799-3</a>","ista":"Zeng Z, Shen X, Cheng R, Perez O, Ouyang N, Fan Z, Lemoine P, Raveau B, Guilmeau E, Chen Y. 2024. Pushing thermal conductivity to its lower limit in crystals with simple structures. Nature Communications. 15, 3007."},"publisher":"Springer Nature","quality_controlled":"1","month":"04","has_accepted_license":"1","file_date_updated":"2024-04-26T10:34:07Z","date_updated":"2024-04-29T05:53:48Z","type":"journal_article","department":[{"_id":"BiCh"}],"oa_version":"Published Version","year":"2024","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","abstract":[{"text":"Materials with low thermal conductivity usually have complex crystal structures. Herein we experimentally find that a simple crystal structure material AgTlI2 (I4/mcm) owns an extremely low thermal conductivity of 0.25 W/mK at room temperature. To understand this anomaly, we perform in-depth theoretical studies based on ab initio molecular dynamics simulations and anharmonic lattice dynamics. We find that the unique atomic arrangement and weak chemical bonding provide a permissive environment for strong oscillations of Ag atoms, leading to a considerable rattling behaviour and giant lattice anharmonicity. This feature is also verified by the experimental probability density function refinement of single-crystal diffraction. The particularly strong anharmonicity breaks down the conventional phonon gas model, giving rise to non-negligible wavelike phonon behaviours in AgTlI2 at 300 K. Intriguingly, unlike many strongly anharmonic materials where a small propagative thermal conductivity is often accompanied by a large diffusive thermal conductivity, we find an unusual coexistence of ultralow propagative and diffusive thermal conductivities in AgTlI2 based on the thermal transport unified theory. This study underscores the potential of simple crystal structures in achieving low thermal conductivity and encourages further experimental research to enrich the family of materials with ultralow thermal conductivity.","lang":"eng"}],"doi":"10.1038/s41467-024-46799-3","volume":15,"ddc":["530"],"ec_funded":1,"project":[{"name":"IST-BRIDGE: International postdoctoral program","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","grant_number":"101034413","call_identifier":"H2020"}],"acknowledgement":"We thank Bingqing Cheng (IST Austria) and Terumasa Tadano (NIMS\r\nJapan) for reading the manuscript and providing insightful comments.\r\nThis work is supported by the Research Grants Council of Hong Kong\r\n(C7002-22Y and 17318122). ZZ acknowledges the European Union’s\r\nHorizon 2020 research and innovation programme under the Marie\r\nSkłodowska-Curie grant agreement No. 101034413. XS acknowledges\r\nfunding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement\r\nNo. 101034329, and the WINNING Normandy Programme supported by\r\nthe Normandy Region. The computations were performed using\r\nresearch computing facilities offered by Information Technology Services, at the University of Hong Kong.","article_number":"3007","date_published":"2024-04-08T00:00:00Z","intvolume":"        15","publication_status":"published","external_id":{"arxiv":["2310.01838"]},"author":[{"id":"54a2c730-803f-11ed-ab7e-95b29d2680e7","last_name":"Zeng","first_name":"Zezhu","full_name":"Zeng, Zezhu"},{"last_name":"Shen","first_name":"Xingchen","full_name":"Shen, Xingchen"},{"full_name":"Cheng, Ruihuan","first_name":"Ruihuan","last_name":"Cheng"},{"last_name":"Perez","full_name":"Perez, Olivier","first_name":"Olivier"},{"full_name":"Ouyang, Niuchang","first_name":"Niuchang","last_name":"Ouyang"},{"last_name":"Fan","first_name":"Zheyong","full_name":"Fan, Zheyong"},{"first_name":"Pierric","full_name":"Lemoine, Pierric","last_name":"Lemoine"},{"first_name":"Bernard","full_name":"Raveau, Bernard","last_name":"Raveau"},{"last_name":"Guilmeau","full_name":"Guilmeau, Emmanuel","first_name":"Emmanuel"},{"last_name":"Chen","first_name":"Yue","full_name":"Chen, Yue"}],"title":"Pushing thermal conductivity to its lower limit in crystals with simple structures","article_type":"original","scopus_import":"1","language":[{"iso":"eng"}],"tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"oa":1,"article_processing_charge":"Yes","publication_identifier":{"eissn":["2041-1723"]},"status":"public","date_created":"2024-04-14T22:01:00Z","publication":"Nature Communications","file":[{"content_type":"application/pdf","relation":"main_file","access_level":"open_access","checksum":"f81bd6ba42f740d060fb446eeebc1035","file_size":3049375,"creator":"cchlebak","success":1,"date_updated":"2024-04-26T10:34:07Z","file_id":"15346","date_created":"2024-04-26T10:34:07Z","file_name":"2024_NatComm_Zeng.pdf"}],"_id":"15311","day":"08"}