Citation: Yujie Huang, Yuanxin Jiang, Chen Chen, Shuankui Li, Kai Guo. Zintl phase compounds ABSb: An emerging family of promising thermoelectric materials with low lattice thermal conductivity[J]. Chinese Chemical Letters, ;2026, 37(8): 111229. doi: 10.1016/j.cclet.2025.111229 shu

Zintl phase compounds ABSb: An emerging family of promising thermoelectric materials with low lattice thermal conductivity

Yujie Huang ^{a, b} ,
Yuanxin Jiang ^a ,
Chen Chen ^{b, *,} ,
Shuankui Li ^{a, c} ,
Kai Guo ^{a, c, *,}

a.
School of Physics and Materials Science, Guangzhou University, Guangzhou 510006, China
b.
Dongguan Key Laboratory of Interdisciplinary Science for Advanced Materials and Large-Scale Scientific Facilities, School of Physical Sciences, Great Bay University, Dongguan 523000, China
c.
Key Lab of Si-based Information Materials & Devices and Integrated Circuits Design, Department of Education of Guangdong Province, Guangzhou 510006, China

ccmldn@gbu.edu.cn

kai.guo@gzhu.edu.cn

Received Date: 12 February 2025
Revised Date: 13 April 2025
Accepted Date: 16 April 2025
Available Online: 17 April 2025

Figures(25)

The diverse structure and hierarchical bonding found within Zintl phases play a crucial role in decoupling the electrical and thermal transport properties, thus conferring them with the desired "phonon-glass, electron-crystal" characteristics necessary for high thermoelectric performance. In the last twenty years, a multitude of promising Zintl thermoelectrics have been explored and investigated, with significant systems such as the 1–2–2 phase, 3–1–3 phase, 5–2–6 phase, 9–4–9 phase, 10–1–9 phase, and 14–1–11 phase standing out. More recently, the emergence of 1–1–1 type Zintl phase compounds as potential thermoelectric candidates have sparked considerable interest. In particular, the low lattice thermal conductivity in these compounds offers great possibilities to achieve high thermoelectric figure of merit zT. This review provides a summary of the crystal structures and thermoelectric performance of typical 1–1–1 type Zintl compounds ABSb (A stands for alkali, alkali-earth, or divalent rare-earth metals, B stands for IA, IB or IIB metals). The focus is placed on elucidating the interesting mechanisms of low lattice thermal conductivity in real-space (r-space) and reciprocal-space (k-space), such as huge fluctuation in bonding strengths, larger atomic displacement parameters, rattling-like behavior of atomic vibration, intrinsic vacancy structure, soft optical phonons, phonon softening strategy, avoided crossing effect. This comprehensive review enhances the understanding of structure-property relationships and offers guidance for further improving the thermoelectric performance of 1–1–1 type Zintl compounds.
- Zintl phases,
- Crystal structure,
- Lattice thermal conductivity,
- Chemical bonding,
- Thermoelectric properties
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沈阳化工大学材料科学与工程学院沈阳 110142