PtH2Pt nanojunction
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Experiments
- R. H. M. Smit, Y. Noat, C. Untiedt, N. D. Lang, M. C. van Hemert and J. M. van Ruitenbeek, Measurement of the conductance of a hydrogen molecule, Nature 419, 906 (2002). [PDF]
- M. Kiguchi, R. Stadler, I. S. Kristensen, D. Djukic, and J. M. van Ruitenbeek, Evidence for a single hydrogen molecule connected by an atomic chain, Phys. Rev. Lett. 98, 146802 (2007). [PDF]
NEGF+Tight-Binding modeling of electronic transport
NEGF+DFT modeling of electronic transport
- GPAW scripts; please change
symmetry={'point_group': False, 'time_reversal': False}
to
usesymm=None
to avoid syntax errors.
