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

TL;DR

This paper predicts that certain chalcopyrite compounds are ideal Weyl semimetals with well-separated Weyl points and detectable Fermi arcs, providing a promising platform for exploring exotic physics and electronic applications.

Contribution

First-principles calculations identify new chalcopyrite materials as ideal Weyl semimetals with distinct Weyl points and Fermi arcs, and a minimal model is developed for their low-energy physics.

Findings

Chalcopyrites CuTlSe2, AgTlTe2, AuTlTe2, ZnPbAs2 are ideal Weyl semimetals.

Weyl points are largely separated (~0.05/Å) in these materials.

Fermi arcs are uncovered and experimentally detectable.

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.