Topological and topological-electronic correlations in amorphous silicon

TL;DR

This study investigates the structural and electronic properties of amorphous silicon, revealing persistent bond correlations, filamentary band tail states, and their relation to local geometry, through first-principles modeling.

Contribution

It provides new insights into the structural-electronic correlations in amorphous silicon, emphasizing persistent bond correlations and filamentary nature of band tail states.

Findings

Spatial correlations between short and long bonds are observed.

Band tail states have a filamentary structure.

Correlations exist between local geometry and electronic states.

Abstract

In this paper, we study several structural models of amorphous silicon, and discuss structural and electronic features common to all. We note spatial correlations between short bonds, and similar correlations between long bonds. Such effects persist under a first principles relaxation of the system and at finite temperature. Next we explore the nature of the band tail states and find the states to possess a filamentary structure. We detail correlations between local geometry and the band tails.