Wrinkled layers lead to high in-plane zT values in hexagonal CaAgSb
Layered thermoelectric materials (LTMs) have attracted great attention due to their anisotropic transport behaviors that provide an opportunity to disentangle the interrelated electrical and thermal conductivities. In this study, we found that hexagonal CaAgSb (h-CaAgSb) possesses a lower lattice th...
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| Published in | Materials today physics Vol. 48; p. 101566 |
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| Main Authors | , , , , , , |
| Format | Journal Article |
| Language | English |
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Elsevier Ltd
01.11.2024
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| Abstract | Layered thermoelectric materials (LTMs) have attracted great attention due to their anisotropic transport behaviors that provide an opportunity to disentangle the interrelated electrical and thermal conductivities. In this study, we found that hexagonal CaAgSb (h-CaAgSb) possesses a lower lattice thermal conductivity and a higher electrical conductivity simultaneously along the in-plane direction when compared with the out-of-plane direction. The low in-plane lattice thermal conductivity mainly originates from the low group velocity of longitudinal acoustic phonon modes. Meanwhile, strong anharmonicity is discovered for the low-lying optical phonon modes. On the other hand, the high in-plane electrical conductivity relies on the small effective mass. Thus, both p-type and n-type h-CaAgSb exhibit a high zT over 2.0 along the in-plane direction at the optimal carrier concentrations. The anisotropic transport properties of h-CaAgSb reported in this work may provide guidance to the experiments. More importantly, the physical insights revealed for the disentangled electrical and thermal transport properties may pave the way for finding other excellent LTMs and optimizing the thermoelectric performance through structure engineering.
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•Hexagonal CaAgSb exhibits a lower lattice thermal conductivity and a higher electrical conductivity simultaneously along the in-plane direction.•The wrinkled Ag-Sb layers decrease the in-plane group velocity and enhance the lattice anharmonicity.•Both p-type and n-type h-CaAgSb exhibit a high zT over 2.0 along the in-plane direction at the optimal carrier concentrations. |
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| AbstractList | Layered thermoelectric materials (LTMs) have attracted great attention due to their anisotropic transport behaviors that provide an opportunity to disentangle the interrelated electrical and thermal conductivities. In this study, we found that hexagonal CaAgSb (h-CaAgSb) possesses a lower lattice thermal conductivity and a higher electrical conductivity simultaneously along the in-plane direction when compared with the out-of-plane direction. The low in-plane lattice thermal conductivity mainly originates from the low group velocity of longitudinal acoustic phonon modes. Meanwhile, strong anharmonicity is discovered for the low-lying optical phonon modes. On the other hand, the high in-plane electrical conductivity relies on the small effective mass. Thus, both p-type and n-type h-CaAgSb exhibit a high zT over 2.0 along the in-plane direction at the optimal carrier concentrations. The anisotropic transport properties of h-CaAgSb reported in this work may provide guidance to the experiments. More importantly, the physical insights revealed for the disentangled electrical and thermal transport properties may pave the way for finding other excellent LTMs and optimizing the thermoelectric performance through structure engineering.
[Display omitted]
•Hexagonal CaAgSb exhibits a lower lattice thermal conductivity and a higher electrical conductivity simultaneously along the in-plane direction.•The wrinkled Ag-Sb layers decrease the in-plane group velocity and enhance the lattice anharmonicity.•Both p-type and n-type h-CaAgSb exhibit a high zT over 2.0 along the in-plane direction at the optimal carrier concentrations. |
| ArticleNumber | 101566 |
| Author | Xia, Chengliang Zheng, Miao Zheng, Huan Li, Dafang Yang, Yu Chen, Yue Cui, Juan |
| Author_xml | – sequence: 1 givenname: Juan surname: Cui fullname: Cui, Juan organization: Institute of Applied Physics and Computational Mathematics, Beijing, 100088, China – sequence: 2 givenname: Chengliang orcidid: 0000-0003-0743-2001 surname: Xia fullname: Xia, Chengliang organization: NYU-ECNU Institute of Physics, NYU Shanghai, Shanghai, 200122, China – sequence: 3 givenname: Huan surname: Zheng fullname: Zheng, Huan organization: Institute of Applied Physics and Computational Mathematics, Beijing, 100088, China – sequence: 4 givenname: Miao surname: Zheng fullname: Zheng, Miao organization: Institute of Applied Physics and Computational Mathematics, Beijing, 100088, China – sequence: 5 givenname: Dafang surname: Li fullname: Li, Dafang organization: Institute of Applied Physics and Computational Mathematics, Beijing, 100088, China – sequence: 6 givenname: Yue orcidid: 0000-0001-5811-6936 surname: Chen fullname: Chen, Yue email: yuechen@hku.hk organization: Department of Mechanical Engineering, The University of Hong Kong, Hong Kong SAR, China – sequence: 7 givenname: Yu orcidid: 0000-0002-1603-3603 surname: Yang fullname: Yang, Yu email: yang_yu@iapcm.ac.cn organization: Institute of Applied Physics and Computational Mathematics, Beijing, 100088, China |
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| Keywords | Thermoelectrics Transport properties Electron-phonon interactions Anharmonic lattice dynamics |
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