Large half‐metallic band gap in a new series CoRhZrZ (Z = Pb, B, Ga, In, Al, Sn, Si) quaternary Heusler

Abstract The structural, electronic, and magnetic properties of a new series CoRhZrZ quaternary Heusler were investigated theoretically by using the density of function theory calculation. All the compounds were found to be stable at the ferromagnetic phase. The magnetic moments of the compound show a positive value ranging from 1 to 2 μB. In addition, the electronic structure of CoRhZrSi shows a large value of the half‐metallic band gap of 0.34 eV. This reflects the high thermal stability of the compound at high temperatures and allowing for a wide range of applications of this material in varying domains, especially those requiring high thermal stability such as the oil and gas sectors, geological applications, and space applications.