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Showing 2016 · cond-mat.mes-hallShow all
3 papers · 2 filters
cond-mat.mes-hall2016★ 12 cited
First-principles multiscale modelling of charged adsorbates on doped graphene
Fabiano Corsetti, Arash A. Mostofi, Johannes Lischner
Adsorbed atoms and molecules play an important role in controlling and tuning the functional properties of two-dimensional (2D) materials. Understanding and predicting this process…
cond-mat.mes-hall2016★ 7 cited
Efficient simulations with electronic open boundaries
Andrew P. Horsfield, Max Boleininger, Roberto D'Agosta +4
We present a reformulation of the Hairy Probe method for introducing electronic open boundaries that is appropriate for steady state calculations involving non-orthogonal atomic ba…
cond-mat.mes-hall2016★ 21 cited
Dispersion and lineshape of plasmon satellites in one, two and three dimensions
Derek Vigil-Fower, Steven G. Louie, Johannes Lischner
Using state-of-the-art many-body Green's function calculations based on the "GW plus cumulant" approach, we analyze the properties of plasmon satellites in the electron spectral fu…