Ab initio study of C14 laves phases in Fe-based systems

Structural properties and energetics of Fe-based C14 Laves phases at various compositions (i.e. Fe2Fe, Fe2X, X2Fe, X2X, where X stands for Si, Cr, Mo, W, Ta) were investigated using the pseudopotential VASP (Vienna Ab initio Simulation Package) code employing the PAW-PBE (Projector Augmented Wave...

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Bibliographic Details
Main Authors: Pavlu J., Šob M.
Format: Article
Language:English
Published: University of Belgrade, Technical Faculty, Bor 2012-01-01
Series:Journal of Mining and Metallurgy. Section B: Metallurgy
Subjects:
Online Access:http://www.doiserbia.nb.rs/img/doi/1450-5339/2012/1450-53391200050P.pdf