Study On The Half-metallicity And Optical Properties Of The Heusler Alloys

Spintronics as an emerging subject it combines the charge and spin properties of electrons, so it is possible to combine the traditional electronic applications, and may successful development of more diversified, more powerful, low power consumption devices. Half-metallic magnetic materials as an important spintronics material, Recently,more and more research has focused on this material. Heusler alloys has a large family and many heusler alloys were found to have half-metallic ferromagnetism and other special properties. Some recent studies have found spin gapless material in the family of heusler alloy, this special material has the advantage of half-metallic ferromagnetic material that is 100% spin polarization around the Fermi surface, also has the advantage of gapless material that is electron transition from the valence band to the conduction band does not require energy.For less research has focused on quaternary heusler alloys containing 4d electron.Electronic structure of CoRhVZ(Z= Al, Ga, Si, Ge) calculations were performed using the self-consistent full potential linearized augmented plane wave method implemented in Wien2 k code within the density functional theory. The result shows that these heusler alloys all have half-metallic nature, and have a negative formation energy. We also calculated the half-metallic stability of those heusler alloys and found that the half-metallic nature will not disappear with the lattice constants changes a litter this indicate that the half-metallic properties are robust in those heusler alloys.Spin gapless materials have attracted more and more attention recently, both experimental and theoretical found several heusler alloys have this character. We calculated the optical properties and magneto-optical properties of the spin gapless semiconductor material Ti2 CoSi. We predict some optical properties of this material, and we also analysis the optical properties through combined with its band structure and density of states.