TY - JOUR
T1 - Effects of Disorder on the Electronic Structure and Thermoelectric Properties of an Inverse Full-Heusler Mn2CoAl Alloy
AU - Li, Hezhang
AU - Hayashi, Kei
AU - Nagashima, Yoshimi
AU - Yoshioka, Shun
AU - Dong, Jinfeng
AU - Li, Jing Feng
AU - Miyazaki, Yuzuru
N1 - Publisher Copyright:
© 2021 American Chemical Society.
PY - 2021/4/13
Y1 - 2021/4/13
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/85104948305
U2 - 10.1021/acs.chemmater.0c04902
DO - 10.1021/acs.chemmater.0c04902
M3 - Article
AN - SCOPUS:85104948305
SN - 0897-4756
VL - 33
SP - 2543
EP - 2547
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 7
ER -