Calculations on Electronic States in QDs woth Saturated Shapes

TL;DR

This paper investigates how the shape of silicon and germanium quantum dots affects their electronic states, using empirical tight binding calculations and group theory, comparing saturated and spherical shapes across various sizes.

Contribution

It introduces a detailed analysis of shape effects on electronic states in Si and Ge quantum dots using a combined empirical tight binding and group theory approach.

Findings

Shape significantly influences electronic states in QDs.

Saturated shapes exhibit different electronic properties compared to spherical ones.

Size range of QDs studied spans from 0.57 to 5.13 nm.

Abstract

Electronic States of Si and Ge QDs of 5 to 3127 atoms with saturated shapes in a size range of 0.57 to 4.92 nm for Si and 0.60 to 5.13 nm for Ge are calculated by using an empirical tight binding model combined with the irreducible representations of the group theory. The results are compared with those of Si and Ge quantum dots with spherical shape. The effects of the shapes on electronic states in QDs are discussed.