Abstract
We investigated Weyl semimetal (WSM) phases in bismuth antimony (${\mathrm{Bi}}_{1\ensuremath{-}x}{\mathrm{Sb}}_{x}$) alloys by combination of atomic composition and arrangement. Via first-principles calculations, we found two WSM states with Sb concentrations of $x=0.5$ and 0.83 with specific inversion-symmetry-broken elemental arrangement. The Weyl points are close to the Fermi level in both of these two WSM states. Therefore, it is likely to obtain Weyl points in Bi-Sb alloy. The WSM phase provides a reasonable explanation for the current transport study of Bi-Sb alloy with the violation of Ohm's law [D. Shin, Y. Lee, M. Sasaki, Y. H. Jeong, F. Weickert, J. B. Betts, H.-J. Kim, K.-S. Kim, and J. Kim, Nat. Mater. 16, 1096 (2017)]. This paper shows that the topological phases in Bi-Sb alloys depend on both elemental composition and their specific arrangement.
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