Beilstein J. Nanotechnol.2017,8, 2094–2105, doi:10.3762/bjnano.8.209
-correlation functionals for transport calculations [38] and by the high computational cost. Second, standard functionals for DFT do not describe strongly correlatedsystems particularly well. Third, NEGFs can describe tunneling (hybridization) exactly but naturally lead to perturbative approximations for
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Figure 1:
Results of DFT calculations for phthalocyanine stacks on fcc-Au(111) surfaces: relaxed geometries o...
Beilstein J. Nanotechnol.2015,6, 2417–2422, doi:10.3762/bjnano.6.249
demonstrations, the fine details of the phenomenon were not addressed. Here, we analyze the evolution of vibration-mediated Kondo effect in molecular junctions during mechanical stretching. The described analysis reveals the different contributions of Kondo and inelastic transport.
Keywords: correlatedsystems
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Figure 1:
(a) Differential conductance vs applied bias voltage (dI/dV vs V) measured for a silver/copper–phth...