First principles study on d0 half-metallic properties of full-Heusler compounds RbCa X2 ( X = C, N, and O)*
Gao Yong-Chuna)†, Wang Xiao-Tianb)‡, Habib Rozalec)
       
Majority-spin and minority-spin band structures of the N and Rb–Ca terminated (001) surfaces of the RbCaN2 compound.