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

doi:10.1063/1.5099083

AIP Advances (Jun 2019)

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

DOI: https://doi.org/10.1063/1.5099083
Journal volume & issue: Vol. 9, no. 6
pp. 065102 – 065102-5

Abstract

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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.

Published in AIP Advances

ISSN: 2158-3226 (Online)
Publisher: AIP Publishing LLC
Country of publisher: United States
LCC subjects: Science: Physics
Website: http://aipadvances.aip.org/

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