PtH2Pt nanojunction: Difference between revisions
From phys824
Jump to navigationJump to search
| Line 4: | Line 4: | ||
==NEGF+Tight-binding Hamiltonian modeling of electronic transport== | ==NEGF+Tight-binding Hamiltonian modeling of electronic transport== | ||
*[https://wiki.fysik.dtu.dk/gpaw/exercises/transport/transport.html#tight-binding-description GPAW scripts] | *[https://wiki.fysik.dtu.dk/gpaw/exercises/transport/transport.html#tight-binding-description GPAW scripts] | ||
==NEGF+DFT Hamiltonian modeling of electronic transport== | ==NEGF+DFT Hamiltonian modeling of electronic transport== | ||
Revision as of 21:57, 30 November 2014
Experiments
- 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 Hamiltonian modeling of electronic transport
NEGF+DFT Hamiltonian modeling of electronic transport
- GPAW scripts; please change
symmetry={'point_group': False, 'time_reversal': False}
to
usesymm=None
to avoid syntax errors.
