Journal
PHYSICAL REVIEW B
Volume 82, Issue 7, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.075420
Keywords
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Funding
- Danish Council for Strategic Research [2106-04-0017]
- European Commission [MODECOM NMP-CT-2006-016434,]
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We present a semiempirical model for calculating electron transport in atomic-scale devices. The model is an extension of the extended Huckel method with a self-consistent Hartree potential that models the effect of an external bias and corresponding charge rearrangements in the device. It is also possible to include the effect of external gate potentials and continuum dielectric regions in the device. The model is used to study the electron transport through an organic molecule between gold surfaces, and it is demonstrated that the results are in closer agreement with experiments than ab initio approaches provide. In another example, we study the transition from tunneling to thermionic emission in a transistor structure based on graphene nanoribbons.
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