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Robust diamond-like Fe-Si network in the zero-strain Na FeSiO4 cathode

Zhuo Ye, Xin Zhao, Shouding Li, Shunqing Wu, Ping Wu, Manh Cuong Nguyen, Jianghuai Guo, Jin‐Xiao Mi, Zhengliang Gong, Zi-Zhong Zhu,

Electrochimica Acta · 2016 · 33 citations · 17 references

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17

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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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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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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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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