Abstract
First-principles method is used to characterize segregation and magnetic properties of alloyed Ti/TiO2interface. We calculate the segregation energy of the doped Ti/TiO2 interface to investigate alloying atom's distribution. The oxidation resistance of Ti/TiO2 interface is enhanced by elements Fe and Ni but reduced by element Co. Magnetism could be produced by alloying elements such as Co, Fe and Ni in the bulk of titanium and the surface of Ti at Ti/TiO2 interface. The presence of these alloying elements could transform the non-magnetic titanium alloys into magnetic systems. We have also calculated the temperature dependence of magnetic permeability for the doped and pure Ti/TiO2 interfaces. Alloying effects on the Curie temperature of the Ti/TiO2 interface have been elaborated.
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