Concepedia

Predicting two-dimensional topological phases in Janus materials by substitutional doping in transition metal dichalcogenide monolayers

Aniceto B. Maghirang, Zhi-Quan Huang, Rovi Angelo B. Villaos, Chia-Hsiu Hsu, Liang-Ying Feng, Emmanuel A. Florido, Hsin Lin, Arun Bansil, Feng‐Chuan Chuang

npj 2D Materials and Applications · 2019 · 85 citations · 69 references

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References

69

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K 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 · 116.1K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations

, , +18

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text

, , +16

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 43.6K citations

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