First-principles study on the magnetic properties of β-Ti68.75Nb25X6.25 (X=Mo, Sn, Ta, Zr, Fe) alloys
Hui Hu,
Y. Yang,
Xiao Xiang,
C. G. Tan,
J. G. Lin,
L. Z. Sun
Affiliations
Hui Hu
Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China
Y. Yang
Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China
Xiao Xiang
Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China
C. G. Tan
Key Laboratory of Low-Dimensional Materials and Application Technology, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China
J. G. Lin
Key Laboratory of Low-Dimensional Materials and Application Technology, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China
L. Z. Sun
Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China
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.
