Boron Aluminum Nitride Studies Using Molecular Dynamics Simulations and Quantum Mechanical Simulations

This paper delves into the exploration of the ultra-wide bandgap semiconductor wurtzite boron aluminum nitride (w-BAlN), a rarely studied semiconductor with promising potential for various technological applications. As an emerging material, w-BAlN possesses unique properties that distinguish it from conventional semiconductors, including its wide bandgap, high thermal conductivity, chemical stability, and mechanical robustness. Despite its potential, w-BAlN remains relatively underexplored in the realm of materials science and semiconductor technology. This paper aims to bridge this gap by studying w-BAlN through computational simulations using molecular dynamics and quantum mechanical simulations. Furthermore, the paper explores the challenges and opportunities associated with studying and harnessing the properties of w-BAlN, including materials synthesis, characterization techniques, and device integration. By shedding light on the distinctive characteristics and potential applications of w-BAlN, this paper aims to stimulate further research and development efforts in exploring and exploiting the unique properties of this promising ultra-wide bandgap semiconductor.