Mechanical Properties of DO3 Based on First Principles

The elastic constants, ideal strength, band structure and electronic density state of Fe<sub>3</sub>Si (DO3) under triaxial tension and triaxial compression were studied using the first principle. The structural parameters calculated at zero pressure are consistent with the experimental...

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Bibliographic Details
Main Authors: Qingdong Zhang, Gang Huang, Shuo Li
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/10/6/488