output
20022024
most citedAssessing the Performance of Recent Density Functionals for Bulk Solids

1k citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing cond-mat.mes-hallShow all

4 papers · 1 filter

cond-mat.mes-hall2019★ 22 cited

Intrinsic Rashba coupling due to Hydrogen bonding in DNA

S. Varela, B. Montañes, F. López +4

We present an analytical model for the role of hydrogen bonding on the spin-orbit coupling of model DNA molecule. Here we analyze in detail the electric fields due to the polarizat…

cond-mat.mes-hall2017★ 38 cited

Moiré pattern interlayer potentials in van der Waals materials from random-phase approximation calculations

Nicolas Leconte, Jeil Jung, Sébastien Lebègue +1

Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where lon…

cond-mat.mes-hall2010★ 126 cited

Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions

Martin Amft, Sébastien Lebègue, Olle Eriksson +1

We performed a systematic density functional study of the adsorption of copper, silver, and gold adatoms on graphene, especially accounting for van der Waals interactions by the vd…

cond-mat.mes-hall2010★ 55 cited

Simulation of hydrogenated graphene Field-Effect Transistors through a multiscale approach

Gianluca Fiori, S. Lebègue, A. Betti +4

In this work, we present a performance analysis of Field Effect Transistors based on recently fabricated 100% hydrogenated graphene (the so-called graphane) and theoretically predi…