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Abstract First-principles method is used to characterize segregation and magnetic properties of alloyed Ti/TiO 2 interface. We calculate the segregation energy of the doped Ti/TiO 2 interface to investigate alloying… Click to show full abstract
Abstract First-principles method is used to characterize segregation and magnetic properties of alloyed Ti/TiO 2 interface. We calculate the segregation energy of the doped Ti/TiO 2 interface to investigate alloying atom's distribution. The oxidation resistance of Ti/TiO 2 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/TiO 2 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/TiO 2 interfaces. Alloying effects on the Curie temperature of the Ti/TiO 2 interface have been elaborated.
Journal Title: Journal of Magnetism and Magnetic Materials
Year Published: 2017
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