Quantum Mechanical Approach for Modeling of Ternary Based Strained-Layer Superlattice

TL;DR

This paper presents a quantum mechanical modeling approach for the electronic band structure of ternary strained-layer superlattices, specifically InAs/InAs1-xSbx, using an empirical tight binding method with virtual crystal approximation.

Contribution

It introduces a modified sp3s* empirical tight binding model combined with virtual crystal approximation to accurately simulate the band structure of ternary superlattices.

Findings

Simulations agree well with experimental band gap measurements.

The model provides a theoretical explanation for atomic segregation in superlattices.

The approach enhances understanding of electronic properties in strained-layer superlattices.

Abstract

Ternary-based InAs/InAs1-xSbx Strained-Layer Superlattice (SLS)material with type-II band alignment belongs to the 6.1 A family with reasonably small lattice mismatch with GaSb substrate for epitaxial growth. InAs/InAs1-xSbx SLS have been proven to have more advantages such as longer carrier lifetime, better control on growth and manufacturability, and being considered as an alternative material system for infrared photodetectors. In this article a quantum mechanical based modelling on electronic band structure of InAs/InAs1-xSbx is presented. A modified sp3s* empirical tight binding method along with implementing a virtual crystal approximation with a bowing of the s-on-site tight-binding energy, were incorporated. In this approach, a theoretical explanation of atomic segregation in superlattices is suggested and used in calculations. The simulations show good agreement with experimentally measured band gap of InAs/InAs1-xSbx superlattices.