Positron annihilation spectroscopy for the pure and Niobium doped ZrCo$_2$Sn Heusler compound

Abstract

We perform spin-polarized two-dimensional angular correlation of annihilation radiation (2D-ACAR) calculations for the recently predicted ZrCo 2 Sn-Weyl Heusler compound within the density functional theory using the generalized gradient approximation (GGA) and its extension GGA+U.We confirm that within the GGA+U method, a pair of Weyl-points are revealed, and that by doping with Niobium, for the composition Nb 0.3 Zr 0.7 Co 2 Sn, the Weyl points are reaching the Fermi level. Our 2D-ACAR results indicate the existence of the Weyl points, however, within the present calculation, it is uncertain if the smearing at the Fermi level can be attributed to the positron wave function.