Investigation of the thermodynamic, structural, electronic, mechanical and phonon properties of D0c Ru-based intermetallic alloys: an ab-initio study

Investigation of the thermodynamic, structural, electronic, mechanical and phonon properties of D0c Ru-based intermetallic alloys: an ab-initio study

We present the structural, elastic, electronic, magnetic, and phonon properties of D0c X _3 Ru (X = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) alloys in their respective ground-states at zero pressure using first-principles density functional theory (DFT). The calculated heat of formation for Sc _3...

Full description

Bibliographic Details
Main Authors: B O Mnisi, E M Benecha, M M Tibane
Format: Article
Language:English
Published: IOP Publishing 2024-01-01
Series:Materials Research Express
Subjects:
ab-initio calculations
structural stability
electronic and mechanical properties
Online Access:https://doi.org/10.1088/2053-1591/ad3a40

Internet

https://doi.org/10.1088/2053-1591/ad3a40

Similar Items