Concepedia

Phase equilibrium of a CuInSe2–CuInS2 pseudobinary system studied by combined first-principles calculations and cluster expansion Monte Carlo simulations

Hong Tao Xue, Fu Tang, Xiao Kang Li, Fu Cheng Wan, Wen Lu, Zhi Yuan Rui, Yu Feng

Materials Science in Semiconductor Processing · 2014 · 23 citations · 39 references

DOI

Concepts

References

39

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

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

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