Concepedia

Study of MgxCd1−xO applying density functional theory: Stability, structural phase transition and electronic properties

K. B. Joshi, U. Paliwal, K. L. Galav, Dhwanil Trivedi, Thomas Bredow

Journal of Solid State Chemistry · 2013 · 18 citations · 30 references

DOI

Concepts

References

30

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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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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The Compressibility of Media under Extreme Pressures

F. D. Murnaghan · Proceedings of the National Academy of Sciences · 1944 · 8.6K citations · Full text

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Population analysis of plane-wave electronic structure calculations of bulk materials

Matthew Segall, Rajiv Shah, Chris J. Pickard et al. · Physical review. B, Condensed matter · 1996 · 1.3K citations

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Quasiparticle band structure based on a generalized Kohn-Sham scheme

F. Fuchs, J. Furthmüller, F. Bechstedt et al. · Physical Review B · 2007 · 547 citations · Full text

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