Alloying element's substitution in titanium alloy with improved oxidation resistance and enhanced magnetic properties

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. - Highlights: • We consider the segregation of alloying atoms on the Ti(101¯0)/TiO₂(100) interface. • Alloying the Ti//TiO₂ interface with Fe and Ni has a great advantage of improving the oxidation resistance. • Fe, Co and Nican enhance the magnetic properties of the investigated system. • The variation of permeability with temperature has been presented.