Concepedia

First-principles calculations on the electronic structure of TiCxN1−x, ZrxNb1−xC and HfCxN1−x alloys

A. Zaoui, B. Bouhafs, P. Ruterana

Materials Chemistry and Physics · 2004 · 107 citations · 31 references

DOI

Concepts

References

31

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

Improved tetrahedron method for Brillouin-zone integrations

Peter E. Blöchl, O. Jepsen, O. K. Andersen · Physical review. B, Condensed matter · 1994 · 7.2K citations

, , +12

WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties

Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen et al. · 2019 · 3.4K citations

, , +12