Investigations on Gilbert damping, electronic, magnetic and Curie temperature for equiatomic quaternary Heusler alloys CrScCo Z

Using first-principles calculations, we systematically study Gilbert damping, electronic, magnetic and Curie temperatures of CrScCoZ (Z = B, Al, Ga, In, Tl, Si, Ge, Sn, Pb) quaternary Heusler alloys. Thermodynamical stable is estimated by using formation energy and phase separation, and their elastic constants meet the mechanical stable conditions apart from CrScCoSi alloy. For all alloys, a small Gilbert damping parameters at ambient temperature imply their lower energy loss as spintronics materials. Electronic calculations show that the CrScCoZ have a half-metallic nature, and of which the total magnetic moments obey the Slater-Pauling rule, and the presence of disorder reduces their spin polarization. Analysis of orbital population and density of states confirms that the exchange splitting between and states leads to the formation of gap. Based on the calculated sum of exchange interactions, we demonstrate that the Cr(A)-Cr(A) and Co(C)-Cr(A) exchanges play a leading role in interactions, thus determine the Curie temperatures. Curie temperatures in CrScCoZ alloys are evidently higher than room temperature. Overall, we think that CrScCoZ alloys are promising candidates in future spintronic applications.