Site occupancy of transition elements in C15 NbCr2 laves phase: A first-principles study

Site occupancy of transition elements in C15 NbCr2 laves phase: A first-principles study

Using first-principles calculations, site occupancy behaviors of transition elements in C15 NbCr2 Laves phase are systematically investigated. Elements Y, Sc, Zr, Hf, Cd, Ta, Ti and Ag prefer to occupy the Nb site, and elements Zn, Pt, Re, Tc, Ir, V, Os, Rh, Ru, Ni, Co, Mn, Fe and Cu favor...

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Bibliographic Details
Main Authors: Long Q., Wang J., Du Y., Nie X., Jin Z.
Format: Article
Language:English
Published: Technical Faculty, Bor 2017-01-01
Series:Journal of Mining and Metallurgy. Section B: Metallurgy
Subjects:
Laves phase
first-principles
site occupancy
NbCr2
Online Access:http://www.doiserbia.nb.rs/img/doi/1450-5339/2017/1450-53391600020L.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/1450-5339/2017/1450-53391600020L.pdf

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