First-principles study on the magnetic properties of β-Ti68.75Nb25X6.25 (X=Mo, Sn, Ta, Zr, Fe) alloys

Magnetic performances of β-Ti68.75Nb25X6.25 (X=Fe, Mo, Sn, Ta, Zr) alloys were investigated with first-principles method. The results indicate that the alloys of TiNbSn, TiNbTa, and TiNbZr exhibit interestingly strong magnetism. The magnetic properties of the alloys mainly derive from Ti atoms. The X atom modulates the coupling between Ti and Nb producing electrons backward Ti atoms. Such electron transfer induces asymmetry of the d states of Ti atom between spin-up and spin-down channels. Such magnetic properties of β-Ti68.75Nb25X6.25 (X= Sn, Ta, Zr) show great potential in biomedical implants.Magnetic performances of β-Ti68.75Nb25X6.25 (X=Fe, Mo, Sn, Ta, Zr) alloys were investigated with first-principles method. The results indicate that the alloys of TiNbSn, TiNbTa, and TiNbZr exhibit interestingly strong magnetism. The magnetic properties of the alloys mainly derive from Ti atoms. The X atom modulates the coupling between Ti and Nb producing electrons backward Ti atoms. Such electron transfer induces asymmetry of the d states of Ti atom between spin-up and spin-down channels. Such magnetic properties of β-Ti68.75Nb25X6.25 (X= Sn, Ta, Zr) show great potential in biomedical implants.