Oxygen-containing inverse perovskites represent one possible solution to reduce the cost and enhance the sustainability of thermoelectric materials. Although oxygen-containing compounds may be thought to reduce the electronic mobility and thus the thermoelectric performance, computational studies on A3TtO (A = Mg, Ca; Tt = Si, Ge) revealed that they exhibit high electrical conductivity originating from Dirac cones at valence and conduction bands. High Seebeck coefficients were predicted arising from multiple degenerate bands, leading to enhanced power factors, and low thermal conductivities were predicted using the minimum thermal conductivity model. These predictions were validated by experimental studies on Ca3SiO and Ca3GeO, which were synthesized through high-temperature methods. They adopt an orthorhombic structure (space group Imma). Transport measurements show high Seebeck coefficients and low thermal conductivities for these compounds, confirming their potential for high thermoelectric performance.
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14 July 2019
Research Article|
July 12 2019
Thermoelectric properties of inverse perovskites A3TtO (A = Mg, Ca; Tt = Si, Ge): Computational and experimental investigations
Special Collection:
Advanced Thermoelectrics
Jan-Hendrik Pöhls;
Jan-Hendrik Pöhls
Department of Chemistry, University of Alberta
, Edmonton, Alberta T6G 2G2, Canada
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Arthur Mar
Arthur Mar
a)
Department of Chemistry, University of Alberta
, Edmonton, Alberta T6G 2G2, Canada
a)Author to whom correspondence should be addressed: amar@ualberta.ca
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a)Author to whom correspondence should be addressed: amar@ualberta.ca
Note: This paper is part of the special topic on Advanced Thermoelectrics.
J. Appl. Phys. 126, 025110 (2019)
Article history
Received:
March 08 2019
Accepted:
June 22 2019
Citation
Jan-Hendrik Pöhls, Arthur Mar; Thermoelectric properties of inverse perovskites A3TtO (A = Mg, Ca; Tt = Si, Ge): Computational and experimental investigations. J. Appl. Phys. 14 July 2019; 126 (2): 025110. https://doi.org/10.1063/1.5095247
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