First-principles investigation of magnetic and transport properties in hole-doped shandite compounds <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Co</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>In</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>Sn</mml:mi><mml:mrow><mml:mn>2</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
Yuki Yanagi, Junya Ikeda, Kohei Fujiwara, Kentaro Nomura, Atsushi Tsukazaki, Michi‐To Suzuki
Abstract
Co-based shandite ${\mathrm{Co}}_{3}{\mathrm{Sn}}_{2}{\mathrm{S}}_{2}$ is a representative example of magnetic Weyl semimetals showing rich transport phenomena. We thoroughly investigate magnetic and transport properties of hole-doped shandites ${\mathrm{Co}}_{3}{\mathrm{In}}_{x}{\mathrm{Sn}}_{2\ensuremath{-}x}{\mathrm{S}}_{2}$ by first-principles calculations. The calculations reproduce nonlinear reduction of anomalous Hall conductivity with doping In for ${\mathrm{Co}}_{3}{\mathrm{Sn}}_{2}{\mathrm{S}}_{2}$ 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 ${\mathrm{Co}}_{3}{\mathrm{In}}_{x}{\mathrm{Sn}}_{2\ensuremath{-}x}{\mathrm{S}}_{2}$.