Band-edge diagrams for strained III-V semiconductor quantum wells, wires, and dots

TL;DR

This paper provides a comprehensive theoretical analysis of band-edge energies in strained III-V semiconductor nanostructures, offering new insights into material combinations and confinement effects across various geometries.

Contribution

It introduces detailed calculations of band edges for numerous strained III-V combinations in quantum wells, wires, and dots, including novel material pairings and alloy effects.

Findings

Accurate estimation of confinement energies using effective mass approximation.

Identification of new material combinations with potential for novel electronic properties.

Excellent agreement between theoretical predictions and experimental data.

Abstract

We have calculated band-edge energies for most combinations of zincblende AlN, GaN, InN, GaP, GaAs, InP, InAs, GaSb and InSb in which one material is strained to the other. Calculations were done for three different geometries, quantum wells, wires, and dots, and mean effective masses were computed in order to estimate confinement energies. For quantum wells, we have also calculated band-edges for ternary alloys. Energy gaps, including confinement, may be easily and accurately estimated using band energies and a simple effective mass approximation, yielding excellent agreement with experimental results. By calculating all material combinations we have identified novel and interesting material combinations, such as artificial donors, that have not been experimentally realized. The calculations were perfomed using strain-dependent k-dot-p theory and provide a comprehensive overview of band structures for strained heterostructures.