Stabilization of high-performance rock-salt LiMnSbTe3 thermoelectrics with embedded van der Waals-like gaps
Rock-salt-structured compounds like lead chalcogenides are promising thermoelectrics, as their high symmetry, strong anharmonicity, and favorable phase behavior collectively lead to high performance by enabling large power factors and ultralow thermal conductivity. Here, we report LiMnSbTe<sub>3</sub>, a new rock-salt semiconductor stabilized through targeted chemical design by combining hexagonal MnTe with cubic LiSbTe<sub>2</sub>. Embedded in the high-symmetry matrix, van der Waals-like gaps form due to Sb<sub>2</sub>Te<sub>3</sub> nanoscale segregation, which acts as effective phonon-scattering centers, leading to a low lattice thermal conductivity of 0.37 Wm<sup>-1</sup>K<sup>-1</sup> at 873 K with alloy scattering from disordered cations. The ordered local structure of Sb<sub>2</sub>Te<sub>3</sub>-type vdW-like gaps and the cross-gap interaction facilitate the carrier transport. Aided by energy-converged valence bands and a paramagnon drag effect, high Seebeck coefficients and enhanced power factor can be achieved, leading to a high ZT of 1.2 at 873 K. Furthermore, introducing Mn deficiency increases ZT to 1.5, highlighting the potential for higher performance through optimized doping or alloying. A segmented single-leg thermoelectric module achieves an output power density of 0.52 Wcm<sup>-2</sup> and an efficiency of 8.7% under ∆T of 478 K, further demonstrating its promising thermoelectric applications.
Authors
- Qingyu Yan (ORCID: https://orcid.org/0000-0003-0317-3225)
- Yandong Sun (ORCID: https://orcid.org/0000-0003-4491-208X)
- Xian Yi Tan (ORCID: https://orcid.org/0000-0002-7501-6723)
- Li Ping Tan (ORCID: https://orcid.org/0000-0002-5239-3745)
- Kedar Hippalgaonkar (ORCID: https://orcid.org/0000-0002-1270-9047)
- Mercouri G. Kanatzidis (ORCID: https://orcid.org/0000-0003-2037-4168)
- Sumayya
- Vinayak P. Dravid (ORCID: https://orcid.org/0000-0002-6007-3063)
- D. V. Maheswar Repaka (ORCID: https://orcid.org/0000-0003-3917-0229)
- Yilin Jiang (ORCID: https://orcid.org/0000-0002-8815-4260)
- Jinfeng Dong (ORCID: https://orcid.org/0000-0002-3026-8054)
- R.V. Ramanujan (ORCID: https://orcid.org/0000-0002-4504-8206)
- Ben Xu (ORCID: https://orcid.org/0000-0002-1557-0052)
- Dongwang Yang (ORCID: https://orcid.org/0000-0002-6096-4261)
- Paribesh Acharyya (ORCID: https://orcid.org/0000-0001-7002-3898)
- Chen Chen (ORCID: https://orcid.org/0000-0001-5902-3037)
- Yu Zhen Yuan (ORCID: https://orcid.org/0000-0002-3148-6600)
- Chenguang Zhang (ORCID: https://orcid.org/0000-0003-4658-5633)
- Jing‐Feng Li (ORCID: https://orcid.org/0000-0002-0185-0512)
- Yukun Liu (ORCID: https://orcid.org/0000-0001-8088-1407)
Institutions
- Northwestern University (US)
- Agency for Science, Technology and Research (SG)
- Nanyang Technological University (SG)
- China Academy of Engineering Physics (CN)
- Northwestern University (PH)
- Institute of Materials Research and Engineering (SG)
- RWTH Aachen University (DE)
- Tsinghua University (CN)
Publication Details
- Journal
- Nature Communications
- Published
- 2025-11-20
- DOI
- https://doi.org/10.1038/s41467-025-66518-w
- Citations
- 2
- Primary Topic
- Advanced Thermoelectric Materials and Devices
- Type
- article
- Field-Weighted Citation Impact
- 1.04
Funders
- National Science Foundation
- U.S. Department of Energy
- W. M. Keck Foundation
- Northwestern University
- National Research Foundation
- National Research Foundation Singapore
- Nanyang Technological University
- National Natural Science Foundation of China
- Tsinghua University
- Ministry of Education, India
- Office of Science
- Materials Research Science and Engineering Center, Harvard University
- International Institute for Nanotechnology, Northwestern University
- Division of Materials Research
- Division of Electrical, Communications and Cyber Systems
- Basic Energy Sciences