Thermoelectric Properties of the As/P-Based Zintl Compounds EuIn2As2−xPx (X = 0 to 2) and SrSn2As2

15 April 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Zintl compounds containing Sb have been studied extensively because of their promising thermoelectric properties. In this study, we prepared As/P-based Zintl compounds, EuIn2As2-xPx (x = 0 to 2) and SrSn2As2, and examined their potential for use as thermoelectric materials. These compounds show hole carrier concentrations of ~10^19 /cm3 for EuIn2As2-xPx and ~10^21 /cm3 for SrSn2As2 at 300 K. The high carrier concentration of SrSn2As2 is likely owing to self-doping by hole-donating Sn vacancies. The electrical power factor reaches ~1 mW/mK2 at ~600 K for EuIn2As2-xPx with x = 0.1 and 0.2. The lattice thermal conductivity is determined to be 1.6–2.0 W/mK for EuIn2As2 and SrSn2As2, and 2.8 W/mK for EuIn2P2 at 673 K. The dimensionless figure of merit reaches ZT = 0.29 at 773 K for EuIn2As2-xPx with x = 0.2. First-principles calculations show that EuIn2As2 and SrSn2As2 are topologically nontrivial materials with band inversion, while EuIn2P2 is a conventional semiconductor with a bandgap. The present study demonstrates that As/P-based Zintl compounds can also show promising thermoelectric properties, thus expanding the frontier for efficient thermoelectric materials.


thermoelectric material
Crystal structure
transport properties
Electronic Structure


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