First-principles study on thermoelectric properties of half-Heusler compounds CoMSb (M = Sc, Ti, V, Cr, and Mn)

被引：27

作者：

Minami, Susumu ^{[1
]}

Ishii, Fumiyuki ^{[2
]}

Mizuta, Yo Pierre ^{[1
]}

Saito, Mineo ^{[2
]}

机构：

[1] Kanazawa Univ, Grad Sch Nat Sci & Technol, Kanazawa, Ishikawa 9201192, Japan

[2] Kanazawa Univ, Fac Math & Phys, Inst Sci & Engn, Kanazawa, Ishikawa 9201192, Japan

来源：

APPLIED PHYSICS LETTERS | 2018年 / 113卷 / 03期

基金：

日本学术振兴会;

关键词：

MAGNETIC-PROPERTIES; OPTICAL-PROPERTIES; TRANSPORT; PHASES; METAL;

D O I：

10.1063/1.5029907

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have performed systematic density functional calculations and evaluated thermoelectric properties (Seebeck coefficient and anomalous Nernst coefficient) of half-Heusler compounds CoMSb (M Sc, Ti, V, Cr, and Mn). The carrier concentration dependence of the Seebeck coefficient in nonmagnetic compounds is in good agreement with experiments. We found that the half-metallic ferromagnetic CoMnSb shows a large anomalous Nernst effect originating from Berry curvature near the Brillouin zone boundary. These results help us understand the mechanism of a large anomalous Nernst coefficient and give us a clue to design high performance magnetic thermoelectric materials. Published by AIP Publishing.

引用

页数：5

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