Ideal Weyl semimetals in the chalcopyrites CuTlSe2, AgTlTe2, AuTlTe2 and ZnPbAs2

Abstract

Weyl semimetals are new states of matter which feature novel Fermi arcs and exotic transport phenomena. Based on first-principles calculations, we report that the chalcopyrites CuTlSe2, AgTlTe2, AuTlTe2 and ZnPbAs2 are ideal Weyl semimetals, having largely separated Weyl points (~ 0.05/A) and uncovered Fermi arcs that are amenable to experimental detections. We also construct a minimal effective model to capture the low-energy physics of this class of Weyl semimetals. Our discovery is a major step toward a perfect playground of intriguing Weyl semimetals and potential applications for low-power and high-speed electronics.

Accepted by Phys. Rev. Lett. The supplementary information is added