【摘 要】
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The transport properties of a series of σ-π conjugated cyclosilanylene-ethenylene nanowires(SinC4)k(n=3-6,k=1-4)were studied by using non-equilibrium Gree
【机 构】
：
CollegeofChemicalandEnvironmentalEngineering,HarbinUniversityofScienceandTechnology,Harbin150040,Chi
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The transport properties of a series of σ-π conjugated cyclosilanylene-ethenylene nanowires(SinC4)k(n=3-6,k=1-4)were studied by using non-equilibrium Greens function formalism with density functional theory.It is found that the ring member of silanylene n and the whole chain length k play important roles in governing the transport properties:(1)the conductivity tends to be decreased with increasing n;(2)nanowire elongation is not favorable to enhancing conductivity;(3)the negative differential resistance(NDR)behavior was found for(Si5C4)4.Further analysis indicates that the conductivities can not be directly viewed from the HOMO-LUMO gaps,but correlate to the transmission spectra and the density of states.
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