Multiterminal Nanowire Junctions of Silicon: A Theoretical Prediction of Atomic Structure and Electronic Properties

TL;DR

This paper predicts the atomic structure and electronic properties of novel silicon nanoclusters with potential applications as nanoscale tunnel junctions, using theoretical modeling and electronic structure calculations.

Contribution

It introduces a new class of silicon nanoclusters with specific atomic arrangements and demonstrates their potential as nanoscale electronic tunnel junctions through theoretical analysis.

Findings

Si-IC/Si-PP interface formation is energetically favorable.

Proposed nanoclusters can act as nanoscale tunnel junctions.

Experimental observations of silicon nanostructures can be explained by these objects.

Abstract

Using empirical scheme, atomic structure of a new exotic class of silicon nanoclusters was elaborated upon the central icosahedral core (Si-IC) and pentagonal petals (Si-PP) growing from Si-IC vertexes. It was shown that Si-IC/Si-PP interface formation is energetically preferable. Some experimental observations of silicon nanostructures can be explained by presence of the proposed objects. The Extended Huckel Theory electronic structure calculations demonstrate an ability of the proposed objects to act as nanoscale tunnel junctions.