Concepedia

Pressure Induced Structural, Electronic and Optical Properties of Sc2CBr2 MXene Monolayer: A Density Functional Approach

Nidhi Modi, Yashasvi Naik, S. J. Khengar, D.B. Shah, P. B. Thakor

Computational and Theoretical Chemistry · 2024 · 21 citations · 49 references

DOI

Concepts

References

49

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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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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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

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The electronic properties of graphene

A. H. Castro Neto, F. Guinea, N. M. R. Peres et al. · Reviews of Modern Physics · 2009 · 24.6K citations · Full text

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Two-dimensional gas of massless Dirac fermions in graphene

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Nature · 2005 · 21.4K citations · Full text

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