First-principles investigation of magnetic and transport properties in hole-doped shandite compounds Co$_3$In$_x$Sn$_{2-x}$S$_2$

Yuki Yanagi; Junya Ikeda; Kohei Fujiwara; Kentaro Nomura; Atsushi Tsukazaki; Michi-To Suzuki

doi:10.1103/PhysRevB.103.205112

paper

First-principles investigation of magnetic and transport properties in hole-doped shandite compounds Co $_{3}$ In $_{x}$ Sn $_{2 - x}$ S $_{2}$

arXiv:2011.14567 · doi:10.1103/PhysRevB.103.205112

Abstract

Co-based shandite Co $_{3}$ Sn $_{2}$ S $_{2}$ is a representative example of magnetic Weyl semimetals showing rich transport phenomena. We thoroughly investigate magnetic and transport properties of hole-doped shandites Co $_{3}$ In $_{x}$ Sn $_{2 - x}$ S $_{2}$ by first-principles calculations. The calculations reproduce nonlinear reduction of anomalous Hall conductivity with doping In for Co $_{3}$ Sn $_{2}$ S $_{2}$ , as reported in experiments, against the linearly decreased ferromagnetic moment within virtual crystal approximation. We show that a drastic change in the band parity character of Fermi surfaces, attributed to the nodal rings lifted energetically with In-doping, leads to strong enhancement of anomalous Nernst conductivity with reversing its sign in Co $_{3}$ In $_{x}$ Sn $_{2 - x}$ S $_{2}$ .

7 pages, 4 figures

First-principles investigation of magnetic and transport properties in hole-doped shandite compounds Co3​Inx​Sn2−x​S2​

Abstract

First-principles investigation of magnetic and transport properties in hole-doped shandite compounds Co $_{3}$ In $_{x}$ Sn $_{2 - x}$ S $_{2}$