Half-metallicity of the (001), (111) and (110) surfaces of CoRuMnSi and interface half-metallicity of CoRuMnSi/CdS.

Recent studies have indicated that the quaternary Heusler alloy CoRuMnSi shows a half-metallic ferromagnetism (Kundu , , 7, (2017), 1803). The (111), (110), and (001) surfaces and the interfaces with CdS (111) substrate of the quaternary Heusler alloy CoRuMnSi were explored by carrying out a first-principles investigation based on a density functional theory. Calculations showed that the half metallicity can be preserved for the Si-terminated (111) surface and subsurface while the half-metallicity approved in the bulk CoRuMnSi is destroyed at Co, Ru, and Mn-terminations (111) surfaces and subsurfaces.