Concepedia

A first-principles investigation of the phase stability of Ti2AlC with Al vacancies

Jingyang Wang, Yanchun Zhou, Ting Liao, Jie Zhang, Zhijun Lin

Scripta Materialia · 2007 · 143 citations · 19 references

DOI

Concepts

References

19

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K 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

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

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The MN+1AXN phases: A new class of solids

Michel W. Barsoum · Progress in Solid State Chemistry · 2000 · 3.6K citations

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Relaxation of Crystals with the Quasi-Newton Method

Bernd Pfrommer, Michel Côté, Steven G. Louie et al. · Journal of Computational Physics · 1997 · 3K citations

, , +10