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

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...

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Bibliographic Details
Published in:AIP advances Vol. 9; no. 6; pp. 065102 - 065102-5
Main Authors: Hu, Hui, Yang, Y., Xiang, Xiao, Tan, C. G., Lin, J. G., Sun, L. Z.
Format: Journal Article
Language:English
Published: Melville American Institute of Physics 01-06-2019
AIP Publishing LLC
Subjects:
Electron transfer
First principles
Iron
Magnetic properties
Magnetism
Molybdenum
Surgical implants
Titanium base alloys
Zirconium
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Summary: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.
ISSN:2158-3226
2158-3226
DOI:10.1063/1.5099083