The kinetic Monte Carlo Simulation scheme of the homoepicaxial growth of GaAs(001) for heterostructural growth on GaAs(001) substrate

TL;DR

This paper presents a simplified kinetic Monte Carlo simulation scheme for heterostructural growth of GaAs(001), using first-principles parameters to accurately reproduce experimental RHEED intensity curves.

Contribution

It introduces a versatile, simplified simulation scheme for heteroepitaxial growth on GaAs(001) based on kinetic Monte Carlo methods and first-principles calculations.

Findings

Successfully reproduces experimental RHEED intensity curves.

Provides a general simulation framework applicable to various heteroepitaxial growth scenarios.

Demonstrates the effectiveness of first-principles parameters in kinetic Monte Carlo simulations.

Abstract

The simulation scheme for heterostructural growth of compound semiconductors is presented based on the kinetic Monte Carlo method. The sheme is designed as simple as possible in order to apply it for any heteroepitaxial growth on GaAs(001) substrate. The parameters used in the simulation are determined with the first-principles calculation to reproduce experimental RHEED intensity curves for homoepitaxial growth of GaAs(001).