Phase Boundary Mapping of Tin‐Doped ZnSb Reveals Thermodynamic Route to High Thermoelectric Efficiency

Wood, Maxwell; Toriyama, Michael Y.; Dugar, Shristi; Male, James; Anand, Shashwat; Stevanović, Vladan; Snyder, G. Jeffrey

doi:10.1002/aenm.202100181

Title: Phase Boundary Mapping of Tin‐Doped ZnSb Reveals Thermodynamic Route to High Thermoelectric Efficiency

Journal Article · Wed Apr 14 00:00:00 EDT 2021 · Advanced Energy Materials

DOI:https://doi.org/10.1002/aenm.202100181· OSTI ID:1777525

^[1]; Toriyama, Michael Y. ^[2]; Dugar, Shristi ^[2];

^[2];

^[2]; Stevanović, Vladan ^[3]; Snyder, G. Jeffrey ^[2]

Northwestern University Evanston IL 60208 USA, Jet Propulsion Laboratory California Institute of Technology Pasadena CA 91109 USA
Northwestern University Evanston IL 60208 USA
Colorado School of Mines Golden CO 80401 USA

Abstract The thermoelectric material ZnSb utilizes elements that are inexpensive, abundant, and viable for mass production. While a high thermoelectric figure of merit zT , is difficult to achieve in Sn‐doped ZnSb, it is shown that this obstacle is primarily due to shortcomings in reaching high enough carrier concentrations. Sn‐doped samples prepared in different equilibrium phase spaces in the ternary Zn‐Sb‐Sn system are investigated using phase boundary mapping, and a range of achievable carrier concentrations is found in the doped samples. The sample with the highest zT in this study, which is obtained with a carrier concentration of 2 × 10 ¹⁹ cm ⁻³ when the material is in equilibrium with Zn ₄ Sb ₃ and Sn, confirms that the doping efficiency can be controlled by preparing the doped sample in a particular region of the thermodynamic phase diagram. Moreover, density functional theory calculations suggest that the doping efficiency is limited by the solubility of Sn in ZnSb, as opposed to compensation from native defects. Cognizance of thermodynamic conditions is therefore crucial for rationally tuning the carrier concentration, a quantity that is significant for many areas of semiconductor technologies.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: DE‐SC0020347

OSTI ID:: 1777525

Journal Information:: Advanced Energy Materials, Journal Name: Advanced Energy Materials Vol. 11 Journal Issue: 20; ISSN 1614-6832

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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