Influence of Vacancy on Structural Stability, Mechanical Properties and Electronic Structures of a Ti<sub>5</sub>Sn<sub>3</sub> Compound from First-Principles Calculations

Influence of Vacancy on Structural Stability, Mechanical Properties and Electronic Structures of a Ti<sub>5</sub>Sn<sub>3</sub> Compound from First-Principles Calculations

Titanium alloy is widely used in biomedical materials. Ti-Sn alloy is a new type β titanium alloy with no toxicity. In this paper, the mechanical and electronic properties of Ti<sub>5</sub>Sn<sub>3</sub> with vacancy defects have been studied by using first-principles method....

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Bibliographic Details
Main Authors: Xingzhi Pang, Fenggui Wei, Dong Liu, Wenchao Yang, Yanjun Zhao, Jingwu Wu, Mingjun Pang, Jianbing Yang
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Crystals
Subjects:
first-principles
vacancy
elastic properties
mechanical property
electronic structure
Online Access:https://www.mdpi.com/2073-4352/12/8/1061

Internet

https://www.mdpi.com/2073-4352/12/8/1061

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