Concepedia

Ab-initio study of the effect of rare-earth elements on the stacking faults of Mg solid solutions

Quan Zhang, Lin Fu, Bi‐Yu Tang, Liming Peng, Wenjiang Ding

Intermetallics · 2012 · 65 citations · 37 references

DOI

Concepts

References

37

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson · Computational Materials Science · 2005 · 10.4K citations

, , +6

High-precision sampling for Brillouin-zone integration in metals

M. Methfessel, A. T. Paxton · Physical review. B, Condensed matter · 1989 · 7.7K citations

, , +15