Concepedia

Diamond(001)–Si(001) and Si(001)–Ti(0001) interfaces: A density functional theory study

Junjun Wang, Xin Huang, Honglin Zhang, Linqing Wang, Weijiu Huang, Shaofu Kuang, Fuxiang Huang

Journal of Physics and Chemistry of Solids · 2020 · 10 citations · 36 references

DOI

Concepts

References

36

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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Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Special points for Brillouin-zone integrations

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

, , +6

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

Surface energy and work function of elemental metals

H. L. Skriver, N. M. Rosengaard · Physical review. B, Condensed matter · 1992 · 1.3K citations · Full text

, , +17