Renormalization plus convolution method for atomic-scale modeling of electrical and thermal transport in nanowires.

Abstract

Based on the Kubo-Greenwood formula, the transport of electrons and phonons in nanowires is studied by means of a real-space renormalization plus convolution method. This method has the advantage of being efficient, without introducing additional approximations and capable to analyze nanowires of a wide range of lengths even with defects. The Born and tight-binding models are used to investigate the lattice thermal and electrical conductivities, respectively. The results show a quantized electrical dc conductance, which is attenuated when an oscillating electric field is applied. Effects of single and multiple planar defects, such as a quasi-periodic modulation, on the conductance of nanowires are also investigated. For the low temperature region, the lattice thermal conductance reveals a power-law temperature dependence, in agreement with experimental data.