Effects of alloying elements on structural, electronic and mechanical properties of AlSc2 by first-principles calculations

Article ID	Journal	Published Year	Pages	File Type
1561410	Computational Materials Science	2013	8 Pages	PDF

Abstract

- Microalloying affects AlSc2 greatly.
- Alloying elements decrease the lattice parameters.
- Doped AlSc2 is stable and anisotropic.
- Al-Sc-Cr system has the largest bond strength.

Keywords

First-principle Electronic properties Mechanical properties Crystal structure

Related Topics

Physical Sciences and Engineering Engineering Computational Mechanics

Preview

Effects of alloying elements on structural, electronic and mechanical properties of AlSc2 by first-principles calculations

Authors

Yanfang Mo, Mingjun Pang, Wenchao Yang, Yongzhong Zhan,