Comment on “First-principles calculation of transport properties of a molecular device”
EG Emberly, G Kirczenow - Physical Review Letters, 2001 - APS
EG Emberly, G Kirczenow
Physical Review Letters, 2001•APSComment on “First-Principles Calculation of Transport Properties of a Molecular Device” …
Comment on “First-Principles Calculation of Transport Properties of a Molecular Device” …
In this Comment we suggest that the source of the discrepancy may be the use of an
inadequate model of the system. Our calculations based on an alternate model agree very
well with the experimental data, including both the shape of the conductance curve and the
magnitude of the conductance. In the experiment [2] two gold nanocontacts were both …
Comment on “First-Principles Calculation of Transport Properties of a Molecular Device” …
In this Comment we suggest that the source of the discrepancy may be the use of an
inadequate model of the system. Our calculations based on an alternate model agree very
well with the experimental data, including both the shape of the conductance curve and the
magnitude of the conductance. In the experiment [2] two gold nanocontacts were both …
Abstract
A Comment on the Letter by M. Di Ventra, ST Pantelides, and ND Lang, Phys. Rev. Lett. 84, 979 (2000).
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