作者: Eldon G. Emberly , George Kirczenow
DOI: 10.1103/PHYSREVB.64.125318
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摘要: We introduce a theoretical approach based on scattering theory and total energy methods that treats transport nonlinearities, conformational changes, charging effects in molecular wires unified way. apply this to consisting of chain molecules with different electronic structural properties bonded metal contacts. show nonlinear all these systems can be understood terms single physical mechanism, predict negative differential resistance at high bias should generic property such wires.