l12型Fe3Ga的巨大横向热电性:第一性原理研究

IF 5.6 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Susumu Minami, Seito Nishihara, Sota Hogaki, Takahiro Shimada
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引用次数: 0

摘要

反常能效应(ANE)是一种横向热电效应,作为热电应用的一种很有前途的途径而受到人们的关注。而ANE的内在成分可以通过电子结构中的Berry相概念来理解;然而,对其增强机制的系统研究仍然有限。在这里,我们证明了铁磁性l12型Fe3Ga在室温下具有巨大的横向热电性αxy ~ 3.0 AK−1m−1,在高温区域(500 K)达到了~ 4.0 AK−1m−1。此外,电子载流子掺杂也可以提高其响应,达到~ 4.5 AK−1m−1。我们的详细分析表明,这种增强源于带状结构中的节点线,它产生了大的Berry曲率。结果建立了拓扑电子结构和增强热电响应之间的清晰物理关系,为设计高性能的基于ane的磁性热电材料提供了有价值的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Giant transverse thermoelectric conductivity in L12-type Fe3Ga: A first-principles study

Giant transverse thermoelectric conductivity in L12-type Fe3Ga: A first-principles study
Anomalous Nernst effect (ANE), a transverse thermoelectric effect, has attracted attention as a promising route for thermoelectric applications. While intrinsic components of ANE can be understood through Berry phase concepts in the electronic structure; however, systematic investigations of its enhancement mechanisms remain limited. Here, we demonstrate the giant transverse thermoelectric conductivity αxy3.0 AK−1m−1 in ferromagnetic L12-type Fe3Ga at room temperature, and it reaches ∼4.0 AK−1m−1 at high-temperature region (500 K). Moreover, electron carrier doping can also enhance its response to reach ∼4.5 AK−1m−1. Our detailed analysis reveals that this enhancement originates from nodal lines in the band structure, which generate large Berry curvature. The results established a clear physics between topological electronic structures and enhanced thermoelectric responses and provide valuable insights for designing high-performance ANE-based magnetic thermoelectric materials.
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来源期刊
Scripta Materialia
Scripta Materialia 工程技术-材料科学:综合
CiteScore
11.40
自引率
5.00%
发文量
581
审稿时长
34 days
期刊介绍: Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.
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