Insight into Physical and Thermodynamic Properties of X<sub>3</sub>Ir (X = Ti, V, Cr, Nb and Mo) Compounds Influenced by Refractory Elements: A First-Principles Calculation

Insight into Physical and Thermodynamic Properties of X<sub>3</sub>Ir (X = Ti, V, Cr, Nb and Mo) Compounds Influenced by Refractory Elements: A First-Principles Calculation

The effects of refractory metals on physical and thermodynamic properties of X<sub>3</sub>Ir (X = Ti, V, Cr, Nb and Mo) compounds were investigated using local density approximation (LDA) and generalized gradient approximation (GGA) methods within the first-principles calculations based...

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Bibliographic Details
Main Authors: Dong Chen, Jiwei Geng, Yi Wu, Mingliang Wang, Cunjuan Xia
Format: Article
Language:English
Published: MDPI AG 2019-02-01
Series:Crystals
Subjects:
Ir-based intermetallics
refractory metals
elastic properties
ab initio calculations
Online Access:https://www.mdpi.com/2073-4352/9/2/104

Internet

https://www.mdpi.com/2073-4352/9/2/104

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