Estimation of the Grüneisen Parameter of High-Entropy Alloy-Type Functional Materials: The Cases of REO<sub>0.7</sub>F<sub>0.3</sub>BiS<sub>2</sub> and MTe

In functional materials such as thermoelectric materials and superconductors, the interplay between functionality, electronic structure, and phonon characteristics is one of the key factors to improve functionality and to understand the underlying mechanisms. In the first part of this article, we br...

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Bibliographic Details
Published in:Condensed Matter
Main Authors: Fysol Ibna Abbas, Yuki Nakahira, Aichi Yamashita, Md. Riad Kasem, Miku Yoshida, Yosuke Goto, Akira Miura, Kensei Terashima, Ryo Matsumoto, Yoshihiko Takano, Chikako Moriyoshi, Yoshikazu Mizuguchi
Format: Article
Language:English
Published: MDPI AG 2022-04-01
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Online Access:https://www.mdpi.com/2410-3896/7/2/34
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Summary:In functional materials such as thermoelectric materials and superconductors, the interplay between functionality, electronic structure, and phonon characteristics is one of the key factors to improve functionality and to understand the underlying mechanisms. In the first part of this article, we briefly review investigations on lattice anharmonicity in functional materials on the basis of the Grüneisen parameter (<i>γ</i><sub>G</sub>). We show that <i>γ</i><sub>G</sub> can be a good index for large lattice anharmonicity and for detecting a change in anharmonicity amplitude in functional materials. Then, we show original results on the estimation of <i>γ</i><sub>G</sub> for recently developed high-entropy alloy-type (HEA-type) functional materials with a layered structure and a NaCl-type structure. As a common trend for those two systems with two- and three-dimensional structures, we found that <i>γ</i><sub>G</sub> increased with a slight increase in the configurational entropy of mixing (Δ<i>S</i><sub>mix</sub>) and then decreased with increasing Δ<i>S</i><sub>mix</sub> in the high-entropy region.
ISSN:2410-3896