Concepedia

Structural and chemical determination of the new nanolaminated carbide Mo2Ga2C from first principles and materials analysis

Chung‐Chuan Lai, Rahele Meshkian, Martin Dahlqvist, Jun Lü, Lars‐Åke Näslund, Oleg Rivin, E. N. Caspi, O. Ozeri, L. Hultman, Per Eklund,

Acta Materialia · 2015 · 103 citations · 22 references

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22

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Projector augmented-wave method

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

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

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

, , +17

Special points for Brillouin-zone integrations

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

, , +6

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

, , +17