journal article·2021-04-13

Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn2CoAl Alloy

Hezhang Li, Kei Hayashi, Yoshimi Nagashima, Shun Yoshioka, Jinfeng Dong, Jing-Feng Li, Yuzuru Miyazaki

Chemistry of Materials· Volume 33· Issue 7
Publisher page

Abstract

We report a detailed analysis of the crystal structure, electronic structure, and thermoelectric (TE) properties of a stoichiometric Mn2CoAl inverse full-Heusler alloy, which has been predicted to be a spin-gapless semiconductor. To reveal the effects of disorder on TE properties (electrical conductivity and Seebeck coefficient), we prepared Mn2Co(Al1–xSix) (x = 0, 0.05, and 0.1) bulk samples by arc melting. The crystal structure analysis indicates that antisite defects exist in the prepared samples. From the measurements of the electrical conductivity and Seebeck coefficient, it is demonstrated that the prepared Mn2CoAl alloy is not a spin-gapless semiconductor but a half-metal. A relation between the crystal structure and TE properties is discussed based on the calculation of the electronic structure considering the antisite defects in Mn2CoAl.
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Research context

OpenAlex topics: Heusler alloys: electronic and magnetic properties · Advanced Thermoelectric Materials and Devices · MXene and MAX Phase Materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Applied Physics, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan

Course of Applied Physics, School of Engineering, Tohoku University, Sendai 980-8579, Japan

State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China

Funding

Ministry of Education, Culture, Sports, Science and Technology · Tsinghua-Tohoku Collaborative Research Fund

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