Half-metallic characteristic in the new full-heusler SrYO$_{2}$ (Y = Sc, Ti, V, and Cr)

Half-metallic properties of SrYO$_{2}$ (Y = Sc, Ti, V, and Cr) full-Hensler compounds were studied using full-potential linearized augmented plane wave method based on density functional theory. The negative formation energies of SrYO$_{2}$ (Y = Sc, Ti, V, and Cr) alloys confirmed that they can be synthesized experimentally. Total energy calculations showed that AlCu$_{2}$Mn-type structure was the ground state structure in all compounds. In both structures, SrYO$_{2}$ (Y=Ti, V, and Cr) alloys were half-metallic ferrromagnets, while SrScO$_{2}$ was a non- magnetic metal. The origin of half-metallicity was verified for SrCrO$_{2}$. SrYO$_{2}$ (Y = Ti, V, and Cr) alloys in both structures were half-metals in a wide range of lattice constants indicating that they are quite robust against hydrostatic strains. The magnetization of SrYO$_{2}$ (Y = Ti, V, and Cr) alloys was mainly originated from the 3$d$ electrons of Y( = Ti, V, and Cr) atoms and followed the Slater-Pauling rule: $M_{\operatorname{tot}}$=Z$_{\operatorname{tot}}$-12. Generally, It is expected that SrYO$_{2}$ (Y = Ti, V, and Cr) alloys are promising and interesting candidates in the future spintronic field.