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- W1826004966 abstract "Sensitive dependence of the electronic structure on the number of layers in few-layer phosphorene raises a question about the true nature of the interlayer interaction in so-called “van der Waals (vdW) solids”. We performed quantum Monte Carlo calculations and found that the interlayer interaction in bulk black phosphorus and related few-layer phosphorene is associated with a significant charge redistribution that is incompatible with purely dispersive forces and not captured by density functional theory calculations with different vdW corrected functionals. These findings confirm the necessity of more sophisticated treatment of nonlocal electron correlation in total energy calculations." @default.
- W1826004966 created "2016-06-24" @default.
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- W1826004966 date "2015-11-04" @default.
- W1826004966 modified "2023-10-11" @default.
- W1826004966 title "The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus" @default.
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- W1826004966 doi "https://doi.org/10.1021/acs.nanolett.5b03615" @default.
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