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Article: Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics
Title | Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics |
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Authors | |
Issue Date | 23-Mar-2024 |
Publisher | Nature Research |
Citation | Nature Communications, 2024, v. 15, n. 1 How to Cite? |
Abstract | While phonon anharmonicity affects lattice thermal conductivity intrinsically and is difficult to be modified, controllable lattice defects routinely function only by scattering phonons extrinsically. Here, through a comprehensive study of crystal structure and lattice dynamics of Zintl-type Sr(Cu,Ag,Zn)Sb thermoelectric compounds using neutron scattering techniques and theoretical simulations, we show that the role of vacancies in suppressing lattice thermal conductivity could extend beyond defect scattering. The vacancies in Sr2ZnSb2 significantly enhance lattice anharmonicity, causing a giant softening and broadening of the entire phonon spectrum and, together with defect scattering, leading to a ~ 86% decrease in the maximum lattice thermal conductivity compared to SrCuSb. We show that this huge lattice change arises from charge density reconstruction, which undermines both interlayer and intralayer atomic bonding strength in the hierarchical structure. These microscopic insights demonstrate a promise of artificially tailoring phonon anharmonicity through lattice defect engineering to manipulate lattice thermal conductivity in the design of energy conversion materials. |
Persistent Identifier | http://hdl.handle.net/10722/345903 |
ISSN | 2023 Impact Factor: 14.7 2023 SCImago Journal Rankings: 4.887 |
DC Field | Value | Language |
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dc.contributor.author | Zhu, J | - |
dc.contributor.author | Ren, Q | - |
dc.contributor.author | Chen, C | - |
dc.contributor.author | Wang, C | - |
dc.contributor.author | Shu, M | - |
dc.contributor.author | He, M | - |
dc.contributor.author | Zhang, C | - |
dc.contributor.author | Le MD, | - |
dc.contributor.author | Torri, S | - |
dc.contributor.author | Wang, C | - |
dc.contributor.author | Wang, J | - |
dc.contributor.author | Cheng, Z | - |
dc.contributor.author | Li, L | - |
dc.contributor.author | Wang, G | - |
dc.contributor.author | Jiang, Y | - |
dc.contributor.author | Wu, M | - |
dc.contributor.author | Qu, Z | - |
dc.contributor.author | Tong, X | - |
dc.contributor.author | Chen, Y | - |
dc.contributor.author | Zhang, Q | - |
dc.contributor.author | Ma, J | - |
dc.date.accessioned | 2024-09-04T07:06:22Z | - |
dc.date.available | 2024-09-04T07:06:22Z | - |
dc.date.issued | 2024-03-23 | - |
dc.identifier.citation | Nature Communications, 2024, v. 15, n. 1 | - |
dc.identifier.issn | 2041-1723 | - |
dc.identifier.uri | http://hdl.handle.net/10722/345903 | - |
dc.description.abstract | <p>While phonon anharmonicity affects lattice thermal conductivity intrinsically and is difficult to be modified, controllable lattice defects routinely function only by scattering phonons extrinsically. Here, through a comprehensive study of crystal structure and lattice dynamics of Zintl-type Sr(Cu,Ag,Zn)Sb thermoelectric compounds using neutron scattering techniques and theoretical simulations, we show that the role of vacancies in suppressing lattice thermal conductivity could extend beyond defect scattering. The vacancies in Sr<sub>2</sub>ZnSb<sub>2</sub> significantly enhance lattice anharmonicity, causing a giant softening and broadening of the entire phonon spectrum and, together with defect scattering, leading to a ~ 86% decrease in the maximum lattice thermal conductivity compared to SrCuSb. We show that this huge lattice change arises from charge density reconstruction, which undermines both interlayer and intralayer atomic bonding strength in the hierarchical structure. These microscopic insights demonstrate a promise of artificially tailoring phonon anharmonicity through lattice defect engineering to manipulate lattice thermal conductivity in the design of energy conversion materials.<br></p> | - |
dc.language | eng | - |
dc.publisher | Nature Research | - |
dc.relation.ispartof | Nature Communications | - |
dc.rights | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. | - |
dc.title | Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics | - |
dc.type | Article | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.1038/s41467-024-46895-4 | - |
dc.identifier.scopus | eid_2-s2.0-85188418602 | - |
dc.identifier.volume | 15 | - |
dc.identifier.issue | 1 | - |
dc.identifier.eissn | 2041-1723 | - |
dc.identifier.issnl | 2041-1723 | - |