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- W2103463820 abstract "We propose a simple scheme that describes accurately essential nonequilibrium effects in nanoscale electronics devices using equilibrium transport theory. The scheme, which is based on the alignment and dealignment of the junction molecular orbitals with the shifted Fermi levels of the electrodes, simplifies drastically the calculation of current-voltage characteristics compared to typical nonequilibrium algorithms. We probe that the scheme captures a number of nontrivial transport phenomena such as the negative differential resistance and rectification effects. It applies to those atomic-scale junctions whose relevant states for transport are spatially placed on the contact atoms or near the electrodes." @default.
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- W2103463820 date "2012-09-27" @default.
- W2103463820 modified "2023-09-24" @default.
- W2103463820 title "Nonequilibrium transport response from equilibrium transport theory" @default.
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- W2103463820 doi "https://doi.org/10.1103/physrevb.86.125446" @default.
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