Determination of half metallicity behavior of quaternary heusler alloy crcoscga

Abstract

In this work, the theoretical study through the calculations of the structural, electronic and magnetic properties of quaternary  heusler compound CrCoScGa, using  wien2k code, is reported. We adopted the generalized gradient approximation (GGA) to estimate the exchange correlation potential. The negative value of the formation energy shows that CrCoScGa compound have a high structural stability in the type III structure feromagnetic phase, so it can be experimentaly synthetised. According to our electronic calculations, CrCoScGa is a half-metallic ferromagnet (HMF) with a half-metallic gap of  0.22 eV. The total magnetic moment of 3µB, mainly originated from Cr and Co atoms, makes this alloy as a spintronic material.