Concepedia

Theoretical investigation of the structural stability, electronic and optical properties of the double perovskite Cs2ZrX6 (X=Cl, Br, I)

Jing Liu, Meichen Li, Qiuju Han, Wenzhi Wu

Materials Science in Semiconductor Processing · 2023 · 24 citations · 47 references

DOI

Concepts

References

47

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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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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

, , +13

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

Akihiro Kojima, Kenjiro Teshima, Yasuo Shirai et al. · Journal of the American Chemical Society · 2009 · 22.6K citations

, , +17

A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

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