2024
DOI: 10.1021/acs.inorgchem.3c03955
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The Substitution of Rare-Earth Gd in BaScCuTe3 Realizing the Band Degeneracy and the Point-Defect Scattering toward Enhanced Thermoelectric Performance

Xiaotong Yu,
Zhijun Wang,
Pei Cai
et al.

Abstract: Zintl compounds have continuously received significant attention, primarily due to their structural characteristics that align with the properties of the electron crystal and phonon glass. In this study, the crystal structure and thermoelectric properties of the quaternary Zintl chalcogenide BaScCuTe 3 are investigated. The band structure calculations for BaScCuTe 3 reveal a slight energy split of 0.08 eV between the second valence band and the valence band maximum, suggesting the presence of multiband-transpo… Show more

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