Concepedia

The competition for graphene formation on Re (0 0 0 1): A complex interplay between carbon segregation, dissolution and carburisation

Elisa Miniussi, Monica Pozzo, Tevfik Onur Menteş, Miguel Ángel Niño, Andrea Locatelli, Erik Vesselli, G. Comelli, Silvano Lizzit, Dario Alfè, Alessandro Baraldi

Carbon · 2014 · 30 citations · 55 references

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55

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

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Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

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From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

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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

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