758 citations · 2.8k across the 38 of their papers we have counts for
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Density-functional tight-binding for beginners
Pekka Koskinen, Ville Mäkinen
This article is a pedagogical introduction to density-functional tight-binding (DFTB) method. We derive it from the density-functional theory, give the details behind the tight-bin…
Exploring the graphene edges with coherent electron focusing
Peter Rakyta, Andor Kormanyos, Jozsef Cserti +1
We study theoretically the coherent electron focusing in graphene nanoribbons. Using semiclassical and numerical tight binding calculations we show that perfect armchair edges give…
Evidence for Graphene Edges Beyond Zigzag and Armchair
Pekka Koskinen, Sami Malola, Hannu Häkkinen
The edges of nanoscopic objects determine most of their properties. For this reason the edges of honeycomb carbon--always considered either zigzag- or armchair-like--need special a…