We analyze the electronic and magnetic characteristics of the Co2FeGa Heusler compound and the surface (001) Co2FeGa with the [Formula: see text] structure based on first principles calculations. The Co2FeGa Heusler possesses high Curie temperatures and magnetization, and is therefore the most studied composition for spintronics applications. We examine the influences of (001) surface and relate interactions on the half-metallicity and the magnetic properties with two ideal terminations named Co–Co and Fe–Ga and modified Co– terminated (001) surfaces. We notice that the half-metallicity seen in the bulk Co2FeGa is destroyed at all terminations, the spin polarization is smaller than that the bulk, the values of the Co–Co, Fe–Ga and Co– terminations are 50%, 27% and 43% respectively, but all surfaces are shown to be metallic due to the surface states staying at the Fermi level despite the confirmed [Formula: see text] band splitting caused by the liaison influence. The calculated magnetic moment of these terminations was found for all the subsurface to be close to that of the bulk system and this makes this compound of maximum benefit in the pilot applications of spintronic systems.
A combined experimental and theoretical study of Rashba-split surface states on the $(\sqrt{3}\times \sqrt{3})$ Pb/Ag(111)$R30{}^\circ $ surface