论文标题
高渗透合金型功能材料的Grüneisen参数的估计
Estimation of Grüneisen parameter of high-entropy-alloy-type functional materials
论文作者
论文摘要
在诸如热电材料和超导体之类的功能材料中，功能，电子结构和声子特征之间的相互作用是改善功能和理解机制的关键因素之一。在本文的第一部分中，我们简要回顾了Grüneisen参数（γG）对功能材料的晶格非谐度的研究。可以发现，对于大晶格非谐调，并且检测功能材料中的非谐度振幅变化可能是一个很好的量表。然后，我们显示了最近开发的具有分层结构和NaCl型结构的γG估计γG估计结果。作为具有二维结构和三维结构的两个系统之间的共同趋势，我们发现γG通过混合的构型熵（ΔSmix）略有增加而增加，然后γG随着高透镜区域的ΔSmix的增加而降低。
In functional materials like 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 mechanisms. In the first part of this article, we briefly review investigations on lattice anharmonicity in functional materials by Grüneisen parameter (γG). One can find that the γG can be a good scale for large lattice anharmonicity and for detecting a change in anharmonicity amplitude in functional materials. Then, we show original results on estimation of γG for recently-developed high-entropy-alloy-type (HEA-type) functional materials with a layered structure and a NaCl-type structure. As a common trend between those two systems with two- and three-dimensional structures, we find that γG increases by a slight increase in configurational entropy of mixing (ΔSmix), and then γG decreases with increasing ΔSmix in high-entropy region.
