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Giant magnetoresistance in spin valves realized by substituting Y-site atoms in Heusler lattice

‘All-Heusler’ spin-valve constructed by two half-metallic Heusler electrodes and a non-magnetic Heusler spacer contains two interfaces that have a crucial influence on the magnetoresistance. In order to reduce the disorder at the interface and protect the half metallicity of the electrode at the same region, we propose a scheme to construct a spin valve by replacing the Y-site atoms in the half-metallic Heusler electrode to obtain the corresponding non-magnetic spacer based on the Slater–Pauling rule. In this way, the lattice and band match of the two materials can be ensured naturally. By using Co2FeAl as electrode and Co2ScAl as the spacer materials, we construct the Co2FeAl/Co2ScAl/Co2FeAl(001)-spin valve. Based on the first-principles calculation, the most stable FeAl/CoCo-interface is determined both from the phonon spectra and the formation energy when the spacer Co2ScAl grows on the FeAl-terminated (001) surface of electrode material Co2FeAl. By comparing the projected density of states of the interfacial atoms with the corresponding density of states of the bulk electrode material, only the value of spin-up state of Al changes from 0.17 states/atom/eV to 0.06 states/atom/eV before and after substitution, the half metallicity at the interface is maintained. As a result, the spin-dependent transport properties show significant theoretical magnetoresistance MRop which can reach up to 1010% and much larger than 106% reported before.