Unravelling the need for balancing band convergence and resonant level in Sn<sub>1-<i>x</i>-<I>y</i></sub>In<sub><i>x</i></sub>Mn<sub><i>y</i></sub>Te for high thermoelectric performance - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Materials Chemistry A Année : 2023

Unravelling the need for balancing band convergence and resonant level in Sn1-x-yInxMnyTe for high thermoelectric performance

Soufiane El Oualid
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Anne Dauscher
Bertrand Lenoir
Christophe Candolfi

Résumé

Sn1-δTe is one of the few known chalcogenide semiconductors in which the thermoelectric performance can be significantly enhanced by manipulating its valence band structure through band convergence and resonant level (RL). However, these two mechanisms are usually considered as impacting the transport properties independently. Here, using In and Mn to induce both mechanisms in Sn1-x-yInxMnyTe, we demonstrate that these effects can be properly balanced to optimize the ZT values. As a result, an enhanced peak ZT value of 1.30 is achieved at 850 K in the (x, y) = (0.01, 0.06) sample. Electronic band structure calculations further evidence that the RL-induced broadening of the main valence band limits the benefit of band convergence, demonstrating the interplay of these two mechanisms. Our study clarifies the intertwined effects of band convergence and resonant level on the thermoelectric properties of Sn1-δTe and provides general guidance for fully exploiting the benefits of both mechanisms in thermoelectric compounds.
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Dates et versions

hal-04331635 , version 1 (08-12-2023)

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Shantanu Misra, Bartlomiej Wiendlocha, Soufiane El Oualid, Anne Dauscher, Bertrand Lenoir, et al.. Unravelling the need for balancing band convergence and resonant level in Sn1-x-yInxMnyTe for high thermoelectric performance. Journal of Materials Chemistry A, 2023, 12 (2), pp.1166-1175. ⟨10.1039/D3TA05468C⟩. ⟨hal-04331635⟩
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