PtH2Pt nanojunction: Difference between revisions
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* 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). [http://dx.doi.org/10.1103/PhysRevLett.98.146802 [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). [http://dx.doi.org/10.1103/PhysRevLett.98.146802 [PDF]] | ||
==NEGF+Tight-binding | ==NEGF+Tight-binding 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 | ==NEGF+DFT modeling of electronic transport== | ||
*[https://wiki.fysik.dtu.dk/gpaw/exercises/transport/transport.html#dft-description GPAW scripts]; please change | *[https://wiki.fysik.dtu.dk/gpaw/exercises/transport/transport.html#dft-description GPAW scripts]; please change | ||
Revision as of 22:58, 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 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.
