First-principles investigation of oxidation mechanism of Al-doped Mo5Si3 silicide

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 68.3K citations

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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations

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Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.6K citations · Full text

Engineering, Material Simulation, Simulation +22

The oxidation mechanism of θ-Al2O3 scales

Bruce A. Pint · Solid State Ionics · 1995 · 214 citations

Materials Science, Materials Engineering, θ-Al2o3 Scales +5