Concepedia

Hexagonal boron phosphide monolayer exfoliation induced by arsenic incorporation in the BP (1 1 1) surface: A DFT study

Onam Munive Hernández, J. Guerrero-Sánchez, R. Ponce‐Pérez, Reyes García-Díaz, H. N. Fernández-Escamilla, Gregorio H. Cocoletzi

Applied Surface Science · 2020 · 25 citations · 29 references

DOI

Concepts

References

29

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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Revealing Noncovalent Interactions

Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations

, , +17

High-precision sampling for Brillouin-zone integration in metals

M. Methfessel, A. T. Paxton · Physical review. B, Condensed matter · 1989 · 7.7K citations

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